(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid

C6H9NO3 — CID 87118755

IUPAC(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
SMILESC#CCN[C@@H](CO)C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-7-5(4-8)6(9)10/h1,5,7-8H,3-4H2,(H,9,10)/t5-/m0/s1
InChIKeyZHPHHXHQMPAJSD-YFKPBYRVSA-N
MW143.14 g/mol
LogP-1.35
Rot. Bonds4

About (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid

(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid (PubChem CID 87118755) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
PubChem CID87118755
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid
SMILESC#CCN[C@@H](CO)C(=O)O
InChIInChI=1S/C6H9NO3/c1-2-3-7-5(4-8)6(9)10/h1,5,7-8H,3-4H2,(H,9,10)/t5-/m0/s1
InChIKeyZHPHHXHQMPAJSD-YFKPBYRVSA-N
XLogP-1.35
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-hydroxy-2-(prop-2-ynylcarbamoylamino)propanoic acid
CID 80751293
(2S)-2-(ethylamino)-3-hydroxypropanoic acid
CID 12003152
3-hydroxy-2-(2-methylpropylamino)propanoic acid
CID 83635492
acetic acid;2-(ethylamino)-3-hydroxypropanoic acid
CID 87797197
(2S)-3-hydroxy-2-(propylamino)propanoic acid
CID 55287062
2-(prop-2-ynylamino)but-3-enoic acid
CID 130492312
(2S)-3-hydroxy-2-(2-hydroxyethylamino)propanoic acid
CID 54359256
(2S)-2-(2,2-dihydroxyethylamino)-3-hydroxypropanoic acid
CID 141052833
(2S)-3-hydroxy-2-(phosphonomethylamino)propanoic acid
CID 25153772
(2R)-4-hydroxy-2-(prop-2-ynylcarbamoylamino)butanoic acid
CID 107825465
2-[[[(1S)-1-carboxy-2-hydroxyethyl]amino]methyl]-3-hydroxybutanoic acid
CID 162349225
(2S)-2-(but-3-ynylamino)propanoic acid
CID 83194577

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid (CID 87118755) is (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid is C#CCN[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid?
The InChIKey is ZHPHHXHQMPAJSD-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-3-7-5(4-8)6(9)10/h1,5,7-8H,3-4H2,(H,9,10)/t5-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid?
(2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid has a molecular weight of 143.14 g/mol, XLogP of -1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(prop-2-ynylamino)propanoic acid is sourced from PubChem (CID 87118755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).