2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid

C16H27N7O10 — CID 175691421

IUPAC2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O
InChIInChI=1S/C16H27N7O10/c17-1-10(26)22-8(6-24)15(32)20-3-12(28)18-2-11(27)19-4-13(29)23-9(7-25)16(33)21-5-14(30)31/h8-9,24-25H,1-7,17H2,(H,18,28)(H,19,27)(H,20,32)(H,21,33)(H,22,26)(H,23,29)(H,30,31)/t8-,9-/m0/s1
InChIKeyNHLWPPDDDCBKDL-IUCAKERBSA-N
MW477.43 g/mol
LogP-7.55
Rot. Bonds15

About 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid

2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid (PubChem CID 175691421) has the molecular formula C16H27N7O10 and a molecular weight of 477.43 g/mol. Its IUPAC name is 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
PubChem CID175691421
Molecular FormulaC16H27N7O10
Molecular Weight477.43 g/mol
Exact Mass477.18
IUPAC Name2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
SMILESNCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O
InChIInChI=1S/C16H27N7O10/c17-1-10(26)22-8(6-24)15(32)20-3-12(28)18-2-11(27)19-4-13(29)23-9(7-25)16(33)21-5-14(30)31/h8-9,24-25H,1-7,17H2,(H,18,28)(H,19,27)(H,20,32)(H,21,33)(H,22,26)(H,23,29)(H,30,31)/t8-,9-/m0/s1
InChIKeyNHLWPPDDDCBKDL-IUCAKERBSA-N
XLogP-7.55
TPSA278.38 Ų
H-Bond Donors10
H-Bond Acceptors10
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.43
LogP ≤ 5-7.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1010

Analyze 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid with MolForge

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Related Compounds

2-[[(2S)-2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid
CID 10025121
2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 71358180
2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 175824631
2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoic acid
CID 22016201
2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetic acid
CID 10007752
(3S)-3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-(carboxymethylamino)-4-oxobutanoic acid
CID 162410189
2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10121570
(3S)-3-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 24846064
2-[2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 18490644
2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetic acid
CID 11394267
2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]acetic acid
CID 10268658
2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetic acid
CID 102240889

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid?
The IUPAC name of 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid (CID 175691421) is 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid?
The canonical SMILES for 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid is NCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid?
The InChIKey is NHLWPPDDDCBKDL-IUCAKERBSA-N. The full InChI is InChI=1S/C16H27N7O10/c17-1-10(26)22-8(6-24)15(32)20-3-12(28)18-2-11(27)19-4-13(29)23-9(7-25)16(33)21-5-14(30)31/h8-9,24-25H,1-7,17H2,(H,18,28)(H,19,27)(H,20,32)(H,21,33)(H,22,26)(H,23,29)(H,30,31)/t8-,9-/m0/s1.
What are the key properties of 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid?
2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid has a molecular weight of 477.43 g/mol, XLogP of -7.55, 15 rotatable bonds, 10 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]acetic acid is sourced from PubChem (CID 175691421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).