2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid

C10H19N3O4 — CID 18221046

IUPAC2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
SMILESCCC(C)C(NC(=O)CN)C(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)9(13-7(14)4-11)10(17)12-5-8(15)16/h6,9H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyHMHRTKOWRUPPNU-UHFFFAOYSA-N
MW245.28 g/mol
LogP-1.32
Rot. Bonds7

About 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid

2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid (PubChem CID 18221046) has the molecular formula C10H19N3O4 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
PubChem CID18221046
Molecular FormulaC10H19N3O4
Molecular Weight245.28 g/mol
Exact Mass245.14
IUPAC Name2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid
SMILESCCC(C)C(NC(=O)CN)C(=O)NCC(=O)O
InChIInChI=1S/C10H19N3O4/c1-3-6(2)9(13-7(14)4-11)10(17)12-5-8(15)16/h6,9H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16)
InChIKeyHMHRTKOWRUPPNU-UHFFFAOYSA-N
XLogP-1.32
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]acetic acid
CID 18492419
3-[(2-aminoacetyl)amino]-4-[[1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18486123
(3S)-3-[[2-[[(2S,3S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-4-[[2-(carboxymethylamino)-2-oxoethyl]amino]-4-oxobutanoic acid
CID 10218148
(4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[(2-aminoacetyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[(2S,3S)-1-(carboxymethylamino)-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 175771659
6-amino-2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetyl]amino]hexanoic acid
CID 18488436
(3S)-3-amino-4-[[(2S,3S)-1-[[2-(carboxymethylamino)-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
CID 175745280
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]butanedioic acid
CID 18488468
2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-methylpentanoyl]amino]acetic acid
CID 18232769
2-[[2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetic acid
CID 18488452
2-[[2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoyl]amino]propanoic acid
CID 18487683
2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-methylpentanoyl]amino]acetic acid
CID 18219152
2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylpentanoic acid
CID 4182583

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid (CID 18221046) is 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid is CCC(C)C(NC(=O)CN)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid?
The InChIKey is HMHRTKOWRUPPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O4/c1-3-6(2)9(13-7(14)4-11)10(17)12-5-8(15)16/h6,9H,3-5,11H2,1-2H3,(H,12,17)(H,13,14)(H,15,16).
What are the key properties of 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid?
2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid has a molecular weight of 245.28 g/mol, XLogP of -1.32, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]acetic acid is sourced from PubChem (CID 18221046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).