4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid

C16H21NO3 — CID 110465792

IUPAC4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
SMILESO=C(O)CCC(=O)NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c18-14(9-10-15(19)20)17-16(11-5-2-6-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20)
InChIKeyNARAUINWPOVWIU-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.83
Rot. Bonds5

About 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid

4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid (PubChem CID 110465792) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
PubChem CID110465792
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid
SMILESO=C(O)CCC(=O)NC1(c2ccccc2)CCCCC1
InChIInChI=1S/C16H21NO3/c18-14(9-10-15(19)20)17-16(11-5-2-6-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20)
InChIKeyNARAUINWPOVWIU-UHFFFAOYSA-N
XLogP2.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-[(1-phenylcyclopentyl)amino]butanoic acid
CID 110442749
N-(1-phenylcyclohexyl)butanamide
CID 110478581
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
2-cyclohexyl-N-(1-phenylcyclobutyl)acetamide
CID 55461959
2-[(1-phenylcyclohexyl)amino]acetic acid;hydrochloride
CID 175015594
5-[[1-(4-fluorophenyl)cyclobutyl]amino]-5-oxopentanoic acid
CID 110442660
N-[3-oxo-3-[(1-phenylcyclopentyl)amino]propyl]pyridine-4-carboxamide
CID 75371465
N-(1-phenylcyclopropyl)propanamide
CID 110441332
4-[[1-(2-fluorophenyl)cyclopropyl]amino]-4-oxobutanoic acid
CID 110465781
N-(1-phenylcyclopentyl)-2-pyridin-2-ylacetamide
CID 110468250
3-(4-fluorophenyl)sulfanyl-N-(1-phenylcyclobutyl)propanamide
CID 55462573
2-ethoxy-N-(1-phenylcyclobutyl)acetamide
CID 52571502

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid?
The IUPAC name of 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid (CID 110465792) is 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid.
What is the SMILES notation for 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid?
The canonical SMILES for 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid is O=C(O)CCC(=O)NC1(c2ccccc2)CCCCC1.
What is the InChIKey of 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid?
The InChIKey is NARAUINWPOVWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c18-14(9-10-15(19)20)17-16(11-5-2-6-12-16)13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,17,18)(H,19,20).
What are the key properties of 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid?
4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid has a molecular weight of 275.35 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(1-phenylcyclohexyl)amino]butanoic acid is sourced from PubChem (CID 110465792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).