2-amino-3-(propanoylamino)propanoic acid

C6H12N2O3 — CID 59142099

IUPAC2-amino-3-(propanoylamino)propanoic acid
SMILESCCC(=O)NCC(N)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyNTSNWEHPHPMOGR-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.08
Rot. Bonds4

About 2-amino-3-(propanoylamino)propanoic acid

2-amino-3-(propanoylamino)propanoic acid (PubChem CID 59142099) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-amino-3-(propanoylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(propanoylamino)propanoic acid
PubChem CID59142099
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-amino-3-(propanoylamino)propanoic acid
SMILESCCC(=O)NCC(N)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11)
InChIKeyNTSNWEHPHPMOGR-UHFFFAOYSA-N
XLogP-1.08
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 ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[(2-aminoacetyl)amino]propanoic acid
CID 14721793
(2S)-2-amino-3-(3-methylbutanoylamino)propanoic acid
CID 169059714
2-amino-3-(3-aminobutanoylamino)propanoic acid
CID 123589303
2-amino-3-[(propanoylamino)methylsulfanyl]propanoic acid;hydrochloride
CID 21421845
(2S)-2-amino-3-(3-methoxypropanoylamino)propanoic acid
CID 87289464
(2S)-2-amino-3-(carbamoylamino)propanoic acid;hydrochloride
CID 24854389
2-amino-4-oxo-4-[[(2S,3R,4R,5R)-2,3,4,5-tetrahydroxyheptyl]amino]butanoic acid
CID 157157013
N-[(2S)-2-amino-2-phenylethyl]propanamide
CID 95015221
3-methyl-4-(propanoylamino)butanoic acid
CID 81063139
(2S)-2-amino-3-[(2-amino-3-hydroxybutanoyl)amino]propanoic acid
CID 155095224
2-amino-3-hydrazinylpropanoic acid
CID 155021010
N-(2-bromopropyl)propanamide
CID 87559070

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(propanoylamino)propanoic acid?
The IUPAC name of 2-amino-3-(propanoylamino)propanoic acid (CID 59142099) is 2-amino-3-(propanoylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(propanoylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(propanoylamino)propanoic acid is CCC(=O)NCC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(propanoylamino)propanoic acid?
The InChIKey is NTSNWEHPHPMOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-2-5(9)8-3-4(7)6(10)11/h4H,2-3,7H2,1H3,(H,8,9)(H,10,11).
What are the key properties of 2-amino-3-(propanoylamino)propanoic acid?
2-amino-3-(propanoylamino)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(propanoylamino)propanoic acid is sourced from PubChem (CID 59142099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).