2-[acetyl(amino)amino]propanoic acid

C5H10N2O3 — CID 174435171

IUPAC2-[acetyl(amino)amino]propanoic acid
SMILESCC(=O)N(N)C(C)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(5(9)10)7(6)4(2)8/h3H,6H2,1-2H3,(H,9,10)
InChIKeyFAUZKGSSIGTNGN-UHFFFAOYSA-N
MW146.15 g/mol
LogP-0.82
Rot. Bonds2

About 2-[acetyl(amino)amino]propanoic acid

2-[acetyl(amino)amino]propanoic acid (PubChem CID 174435171) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is 2-[acetyl(amino)amino]propanoic acid.

Molecular Properties

Compound Name2-[acetyl(amino)amino]propanoic acid
PubChem CID174435171
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Name2-[acetyl(amino)amino]propanoic acid
SMILESCC(=O)N(N)C(C)C(=O)O
InChIInChI=1S/C5H10N2O3/c1-3(5(9)10)7(6)4(2)8/h3H,6H2,1-2H3,(H,9,10)
InChIKeyFAUZKGSSIGTNGN-UHFFFAOYSA-N
XLogP-0.82
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[amino(carbamimidoyl)amino]propanoic acid
CID 21123865
(2S)-2-[carbamoyl(methyl)amino]propanoic acid
CID 94520574
2-[carbamoyl(fluoro)amino]propanoic acid
CID 21124021
2-methylpropanoic acid
CID 173073412
acetic acid;2-aminopropanoic acid;azane
CID 175391326
2-[bis(1-aminoethyl)amino]propanoic acid
CID 87525384
(2S)-2-(N-acetylanilino)propanoic acid
CID 821173
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
(2S)-2-(N-carbamoylanilino)propanoic acid
CID 54468578
azane;2-methylpropanoic acid;hydrate
CID 161320294
2-methylpropanoic acid;ruthenium
CID 88674751

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(amino)amino]propanoic acid?
The IUPAC name of 2-[acetyl(amino)amino]propanoic acid (CID 174435171) is 2-[acetyl(amino)amino]propanoic acid.
What is the SMILES notation for 2-[acetyl(amino)amino]propanoic acid?
The canonical SMILES for 2-[acetyl(amino)amino]propanoic acid is CC(=O)N(N)C(C)C(=O)O.
What is the InChIKey of 2-[acetyl(amino)amino]propanoic acid?
The InChIKey is FAUZKGSSIGTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O3/c1-3(5(9)10)7(6)4(2)8/h3H,6H2,1-2H3,(H,9,10).
What are the key properties of 2-[acetyl(amino)amino]propanoic acid?
2-[acetyl(amino)amino]propanoic acid has a molecular weight of 146.15 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(amino)amino]propanoic acid is sourced from PubChem (CID 174435171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).