3-hydroxy-4-(prop-2-ynylamino)butanoic acid

C7H11NO3 — CID 103230585

IUPAC3-hydroxy-4-(prop-2-ynylamino)butanoic acid
SMILESC#CCNCC(O)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-8-5-6(9)4-7(10)11/h1,6,8-9H,3-5H2,(H,10,11)
InChIKeyQWLSKWHOBRBKOB-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.96
Rot. Bonds5

About 3-hydroxy-4-(prop-2-ynylamino)butanoic acid

3-hydroxy-4-(prop-2-ynylamino)butanoic acid (PubChem CID 103230585) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-hydroxy-4-(prop-2-ynylamino)butanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-(prop-2-ynylamino)butanoic acid
PubChem CID103230585
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name3-hydroxy-4-(prop-2-ynylamino)butanoic acid
SMILESC#CCNCC(O)CC(=O)O
InChIInChI=1S/C7H11NO3/c1-2-3-8-5-6(9)4-7(10)11/h1,6,8-9H,3-5H2,(H,10,11)
InChIKeyQWLSKWHOBRBKOB-UHFFFAOYSA-N
XLogP-0.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-4-(2-prop-2-ynylsulfanylethylamino)butanoic acid
CID 106429922
(3S)-3-hydroxy-4-(propan-2-ylamino)butanoic acid
CID 134164837
1-(prop-2-ynylamino)butan-2-ol
CID 60885196
3-hydroxy-4-(octadecylamino)butanoic acid
CID 87708231
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-hydroxybutanoic acid
CID 103251562
2-(prop-2-ynylamino)acetic acid
CID 88693817
4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-3-hydroxybutanoic acid
CID 106178077
3-hydroxy-4-[(1-hydroxy-4,4-dimethylcyclohexyl)methylamino]butanoic acid
CID 103253725
2-(prop-2-ynylamino)acetic acid;hydrochloride
CID 88630833
3-hydroxy-4-[[(E)-pent-3-enyl]amino]butanoic acid
CID 103265637
1-propan-2-yloxy-3-(prop-2-ynylamino)propan-2-ol
CID 60649306
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(prop-2-ynylamino)butanoic acid?
The IUPAC name of 3-hydroxy-4-(prop-2-ynylamino)butanoic acid (CID 103230585) is 3-hydroxy-4-(prop-2-ynylamino)butanoic acid.
What is the SMILES notation for 3-hydroxy-4-(prop-2-ynylamino)butanoic acid?
The canonical SMILES for 3-hydroxy-4-(prop-2-ynylamino)butanoic acid is C#CCNCC(O)CC(=O)O.
What is the InChIKey of 3-hydroxy-4-(prop-2-ynylamino)butanoic acid?
The InChIKey is QWLSKWHOBRBKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-2-3-8-5-6(9)4-7(10)11/h1,6,8-9H,3-5H2,(H,10,11).
What are the key properties of 3-hydroxy-4-(prop-2-ynylamino)butanoic acid?
3-hydroxy-4-(prop-2-ynylamino)butanoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(prop-2-ynylamino)butanoic acid is sourced from PubChem (CID 103230585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).