5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid

C17H23NO4 — CID 102551934

IUPAC5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)NC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO4/c19-15-8-6-14(7-9-15)18-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22)
InChIKeyNQNAHSGGCAFXLQ-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.05
Rot. Bonds6

About 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid

5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid (PubChem CID 102551934) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid.

Molecular Properties

Compound Name5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid
PubChem CID102551934
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid
SMILESO=C(O)CC(CC(=O)NC1CCC(O)CC1)c1ccccc1
InChIInChI=1S/C17H23NO4/c19-15-8-6-14(7-9-15)18-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22)
InChIKeyNQNAHSGGCAFXLQ-UHFFFAOYSA-N
XLogP2.05
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-phenylpentanoylamino)cyclohexane-1-carboxylic acid
CID 119229843
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)pentanamide
CID 111435900
(3S)-3-acetamido-N-cyclopropyl-3-phenylpropanamide
CID 9165607
5-anilino-5-oxo-3-phenylpentanoic acid
CID 2812279
5-[[(1S,3R)-3-[[4-[(2-methylphenyl)carbamoylamino]phenyl]carbamoyl]cyclopentyl]amino]-5-oxo-3-phenylpentanoic acid
CID 142134586
(3S)-N-cyclopentyl-3-phenylbutanamide
CID 697485
4-[(3-amino-3-phenylpropanoyl)amino]cyclohexane-1-carboxylic acid
CID 61160281
3,4-diphenyl-N-pyrrolidin-3-ylbutanamide
CID 119451866
2-[(3-amino-2-phenylpropyl)-methylamino]-N-cyclopropylacetamide
CID 43575619
4-cyclopropyl-3-phenylbutanoic acid
CID 19827393
5-(benzylamino)-5-oxo-3-phenylpentanoic acid
CID 70196436
[2-(cyclopropylamino)-2-oxoethyl]-triphenylphosphanium
CID 10363317

Frequently Asked Questions

What is the IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid?
The IUPAC name of 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid (CID 102551934) is 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid.
What is the SMILES notation for 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid?
The canonical SMILES for 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid is O=C(O)CC(CC(=O)NC1CCC(O)CC1)c1ccccc1.
What is the InChIKey of 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid?
The InChIKey is NQNAHSGGCAFXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c19-15-8-6-14(7-9-15)18-16(20)10-13(11-17(21)22)12-4-2-1-3-5-12/h1-5,13-15,19H,6-11H2,(H,18,20)(H,21,22).
What are the key properties of 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid?
5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxycyclohexyl)amino]-5-oxo-3-phenylpentanoic acid is sourced from PubChem (CID 102551934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).