(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid

C7H14N4O4 — CID 166903453

IUPAC(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
SMILESNCC(=O)NC[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C7H14N4O4/c8-1-5(12)10-3-4(7(14)15)11-6(13)2-9/h4H,1-3,8-9H2,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1
InChIKeyRIFITKSHVKCLAN-BYPYZUCNSA-N
MW218.21 g/mol
LogP-3.41
Rot. Bonds6

About (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid

(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid (PubChem CID 166903453) has the molecular formula C7H14N4O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
PubChem CID166903453
Molecular FormulaC7H14N4O4
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
SMILESNCC(=O)NC[C@H](NC(=O)CN)C(=O)O
InChIInChI=1S/C7H14N4O4/c8-1-5(12)10-3-4(7(14)15)11-6(13)2-9/h4H,1-3,8-9H2,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1
InChIKeyRIFITKSHVKCLAN-BYPYZUCNSA-N
XLogP-3.41
TPSA147.54 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 5-3.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
CID 62675013
2-[(2-aminoacetyl)amino]-3-sulfanylpropanoic acid
CID 22342009
2-[(2-aminoacetyl)amino]-4-hydroxybutanoic acid
CID 61244410
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 18221139
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoic acid
CID 145434364
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-[[(2R)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-2-carboxyethyl]disulfanyl]propanoic acid
CID 101431726
(2S)-4-amino-2-[[2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 87286441
(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 6992871
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
5-amino-2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18487657

Frequently Asked Questions

What is the IUPAC name of (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid?
The IUPAC name of (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid (CID 166903453) is (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid?
The canonical SMILES for (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid is NCC(=O)NC[C@H](NC(=O)CN)C(=O)O.
What is the InChIKey of (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid?
The InChIKey is RIFITKSHVKCLAN-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H14N4O4/c8-1-5(12)10-3-4(7(14)15)11-6(13)2-9/h4H,1-3,8-9H2,(H,10,12)(H,11,13)(H,14,15)/t4-/m0/s1.
What are the key properties of (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid?
(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid has a molecular weight of 218.21 g/mol, XLogP of -3.41, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid is sourced from PubChem (CID 166903453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).