(2S)-2-(acetamidomethylamino)propanoic acid

C6H12N2O3 — CID 71351158

IUPAC(2S)-2-(acetamidomethylamino)propanoic acid
SMILESCC(=O)NCN[C@@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(6(10)11)7-3-8-5(2)9/h4,7H,3H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyGDPQUMISCJKYGG-BYPYZUCNSA-N
MW160.17 g/mol
LogP-0.86
Rot. Bonds4

About (2S)-2-(acetamidomethylamino)propanoic acid

(2S)-2-(acetamidomethylamino)propanoic acid (PubChem CID 71351158) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is (2S)-2-(acetamidomethylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(acetamidomethylamino)propanoic acid
PubChem CID71351158
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name(2S)-2-(acetamidomethylamino)propanoic acid
SMILESCC(=O)NCN[C@@H](C)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-4(6(10)11)7-3-8-5(2)9/h4,7H,3H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1
InChIKeyGDPQUMISCJKYGG-BYPYZUCNSA-N
XLogP-0.86
TPSA78.43 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 ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(2-acetamidoethylamino)-2-oxoethyl]amino]propanoic acid
CID 43467117
(2R)-2-(ethylamino)propanoic acid;hydrochloride
CID 87428202
2-(carboxymethylamino)propanoic acid
CID 2764308
(2R)-2-(sulfanylmethylamino)propanoic acid
CID 54134346
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-[2-(2-methylpropanoylamino)ethylamino]propanoic acid
CID 66171677
2-(3-methylbutylamino)propanoic acid
CID 16769163
(2S)-2-(2-fluoroethylamino)propanoic acid
CID 83192654
2-(methoxymethylamino)propanoic acid
CID 22892072
(2R)-2-(3-methylbutylamino)propanoic acid
CID 20848021
(2S)-2-(iodoamino)propanoic acid
CID 54416510
2-(2-carbamoyloxyethylamino)propanoic acid
CID 83210628

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(acetamidomethylamino)propanoic acid?
The IUPAC name of (2S)-2-(acetamidomethylamino)propanoic acid (CID 71351158) is (2S)-2-(acetamidomethylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(acetamidomethylamino)propanoic acid?
The canonical SMILES for (2S)-2-(acetamidomethylamino)propanoic acid is CC(=O)NCN[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(acetamidomethylamino)propanoic acid?
The InChIKey is GDPQUMISCJKYGG-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-4(6(10)11)7-3-8-5(2)9/h4,7H,3H2,1-2H3,(H,8,9)(H,10,11)/t4-/m0/s1.
What are the key properties of (2S)-2-(acetamidomethylamino)propanoic acid?
(2S)-2-(acetamidomethylamino)propanoic acid has a molecular weight of 160.17 g/mol, XLogP of -0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(acetamidomethylamino)propanoic acid is sourced from PubChem (CID 71351158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).