2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid

C18H17NO4 — CID 146236952

IUPAC2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C1CC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C18H17NO4/c20-15-9-5-4-8-12(15)16(18(22)23)19-17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16,20H,10H2,(H,19,21)(H,22,23)
InChIKeyYGYHZASNOSQRIA-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.44
Rot. Bonds5

About 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid

2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid (PubChem CID 146236952) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
PubChem CID146236952
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid
SMILESO=C(O)C(NC(=O)C1CC1c1ccccc1)c1ccccc1O
InChIInChI=1S/C18H17NO4/c20-15-9-5-4-8-12(15)16(18(22)23)19-17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16,20H,10H2,(H,19,21)(H,22,23)
InChIKeyYGYHZASNOSQRIA-UHFFFAOYSA-N
XLogP2.44
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-naphthalen-1-yl-2-[(2-phenylcyclobutanecarbonyl)amino]acetic acid
CID 166319656
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
(2R)-2-(2-chlorophenyl)-2-[(2-methylcyclopropanecarbonyl)amino]acetic acid
CID 107314543
trans-(1S,2S)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 72947289
N-(4-bromobutan-2-yl)-2-phenylcyclopropane-1-carboxamide
CID 83180682
(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
cis-(1R,2S)-2-phenylcyclopropane-1-carboxylic acid
CID 778516
2-phenyl-N-(4-phenylbutan-2-yl)cyclopropane-1-carboxamide
CID 4072324
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
(1R)-2-phenyl-N-[(3S)-2,2,5,5-tetramethyl-4-oxohexan-3-yl]cyclopropane-1-carboxamide
CID 58363591
(2S)-2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropanecarbonyl]amino]-2-phenylacetic acid
CID 119372319
trans-(1R,2R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 124719319

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The IUPAC name of 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid (CID 146236952) is 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid is O=C(O)C(NC(=O)C1CC1c1ccccc1)c1ccccc1O.
What is the InChIKey of 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
The InChIKey is YGYHZASNOSQRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c20-15-9-5-4-8-12(15)16(18(22)23)19-17(21)14-10-13(14)11-6-2-1-3-7-11/h1-9,13-14,16,20H,10H2,(H,19,21)(H,22,23).
What are the key properties of 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid?
2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid has a molecular weight of 311.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)-2-[(2-phenylcyclopropanecarbonyl)amino]acetic acid is sourced from PubChem (CID 146236952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).