2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid

C11H10ClNO2 — CID 62353698

IUPAC2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid
SMILESC#CCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-2-7-13-10(11(14)15)8-3-5-9(12)6-4-8/h1,3-6,10,13H,7H2,(H,14,15)
InChIKeyKEHNYYMKDHYZFV-UHFFFAOYSA-N
MW223.66 g/mol
LogP1.69
Rot. Bonds4

About 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid

2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid (PubChem CID 62353698) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid
PubChem CID62353698
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid
SMILESC#CCNC(C(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-2-7-13-10(11(14)15)8-3-5-9(12)6-4-8/h1,3-6,10,13H,7H2,(H,14,15)
InChIKeyKEHNYYMKDHYZFV-UHFFFAOYSA-N
XLogP1.69
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylsulfanylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62355305
2-(3,4-dimethylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62355300
2-(prop-2-ynylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]acetic acid
CID 62353693
3-[[carboxy-(4-chlorophenyl)methyl]amino]propanoic acid
CID 82344898
2-(2-acetamidoethylamino)-2-(4-chlorophenyl)acetic acid
CID 82344881
2-(3-methylphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62352736
ethyl 2-(3-chloro-4-fluorophenyl)-2-(prop-2-ynylamino)acetate
CID 81145682
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetonitrile
CID 62354503
methyl 2-(3,4-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 62355526
(2S)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;(2R)-2-(4-chlorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 159251854
2-(2-methoxyphenyl)-2-(prop-2-ynylamino)acetic acid
CID 62353700
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-phenylacetic acid
CID 103257236

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid?
The IUPAC name of 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid (CID 62353698) is 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid?
The canonical SMILES for 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid is C#CCNC(C(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid?
The InChIKey is KEHNYYMKDHYZFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-7-13-10(11(14)15)8-3-5-9(12)6-4-8/h1,3-6,10,13H,7H2,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid?
2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid has a molecular weight of 223.66 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-(prop-2-ynylamino)acetic acid is sourced from PubChem (CID 62353698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).