3-[(2-aminoacetyl)amino]-2-methylpropanoic acid

C6H12N2O3 — CID 62675013

IUPAC3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CN)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(6(10)11)3-8-5(9)2-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLDEQZQFFFLFLIV-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.22
Rot. Bonds4

About 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid

3-[(2-aminoacetyl)amino]-2-methylpropanoic acid (PubChem CID 62675013) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
PubChem CID62675013
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name3-[(2-aminoacetyl)amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)CN)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(6(10)11)3-8-5(9)2-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyLDEQZQFFFLFLIV-UHFFFAOYSA-N
XLogP-1.22
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2,3-bis[(2-aminoacetyl)amino]propanoic acid
CID 166903453
(2S)-2-amino-5-[[(2R)-2-carboxypropyl]amino]-5-oxopentanoic acid
CID 163083327
3-[(3-amino-3-methylbutanoyl)amino]-2-methylpropanoic acid
CID 64678333
2-amino-N-(3-amino-2-methylpropyl)acetamide
CID 130703152
2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
3-[(2-methoxyacetyl)amino]-2-methylpropanoic acid
CID 62676002
2-[[(2-aminoacetyl)amino]methyl]-5-methylhexanoic acid
CID 87609068
2-[[[2-[(2-aminoacetyl)amino]acetyl]amino]methyl]-3-methylbutanoic acid
CID 65224439
(2R)-3-(3-aminopropanoylamino)-2-(methylamino)propanoic acid
CID 121428706
3-[[2-(aminomethyl)-3-methylbutanoyl]amino]-2-methylpropanoic acid
CID 65228523
3-[(2-ethoxyacetyl)amino]-2-methylpropanoic acid
CID 62675487
benzyl (2R)-3-[(2-aminoacetyl)amino]-2-methylpropanoate
CID 22876656

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid (CID 62675013) is 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid is CC(CNC(=O)CN)C(=O)O.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid?
The InChIKey is LDEQZQFFFLFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(6(10)11)3-8-5(9)2-7/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid?
3-[(2-aminoacetyl)amino]-2-methylpropanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 62675013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).