2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid

C18H23NO3 — CID 119214109

IUPAC2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c20-17(19-16(18(21)22)14-8-9-14)15-10-6-13(7-11-15)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2,(H,19,20)(H,21,22)
InChIKeyOANRCUCNQPARIA-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.94
Rot. Bonds5

About 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid

2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid (PubChem CID 119214109) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
PubChem CID119214109
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid
SMILESO=C(NC(C(=O)O)C1CC1)C1CCC(c2ccccc2)CC1
InChIInChI=1S/C18H23NO3/c20-17(19-16(18(21)22)14-8-9-14)15-10-6-13(7-11-15)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2,(H,19,20)(H,21,22)
InChIKeyOANRCUCNQPARIA-UHFFFAOYSA-N
XLogP2.94
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-phenylcyclohexanecarbonyl)amino]propanoic acid
CID 119225869
N-(2-amino-1-cyclopropylethyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119615242
3-[(4-phenylcyclohexanecarbonyl)amino]butanoic acid
CID 119221631
2-cyclopropyl-2-(3,4-dihydro-2H-chromene-3-carbonylamino)acetic acid
CID 62697656
(2S)-2-benzamido-2-cyclopropylacetic acid
CID 94553117
2-cyclopropyl-2-[(4-cyclopropylphenyl)methylamino]acetic acid
CID 79978602
2-[(2-amino-2-phenylacetyl)amino]-2-cyclopropylacetic acid
CID 62697536
N-(3-amino-2-methylpropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119996102
2-[[2-(2-chlorophenyl)cyclopropanecarbonyl]amino]-2-cyclopropylacetic acid
CID 119213489
N-(3-aminopropyl)-4-phenylcyclohexane-1-carboxamide;hydrochloride
CID 119406896
2-[(4-phenylcyclohexyl)methyl]propanedioic acid
CID 18768944
2-[(2-anilinoacetyl)amino]-2-cyclopropylacetic acid
CID 62696020

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid (CID 119214109) is 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid is O=C(NC(C(=O)O)C1CC1)C1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid?
The InChIKey is OANRCUCNQPARIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(19-16(18(21)22)14-8-9-14)15-10-6-13(7-11-15)12-4-2-1-3-5-12/h1-5,13-16H,6-11H2,(H,19,20)(H,21,22).
What are the key properties of 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid?
2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid has a molecular weight of 301.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(4-phenylcyclohexanecarbonyl)amino]acetic acid is sourced from PubChem (CID 119214109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).