4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid

C17H23NO4 — CID 11426718

IUPAC4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid
SMILESC[C@H](N[C@H]1CCC[C@@H]1OC(=O)CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(13-6-3-2-4-7-13)18-14-8-5-9-15(14)22-17(21)11-10-16(19)20/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,20)/t12-,14-,15-/m0/s1
InChIKeyUKMKRTIRMWJDIW-QEJZJMRPSA-N
MW305.37 g/mol
LogP2.67
Rot. Bonds7

About 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid

4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid (PubChem CID 11426718) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid.

Molecular Properties

Compound Name4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid
PubChem CID11426718
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid
SMILESC[C@H](N[C@H]1CCC[C@@H]1OC(=O)CCC(=O)O)c1ccccc1
InChIInChI=1S/C17H23NO4/c1-12(13-6-3-2-4-7-13)18-14-8-5-9-15(14)22-17(21)11-10-16(19)20/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,20)/t12-,14-,15-/m0/s1
InChIKeyUKMKRTIRMWJDIW-QEJZJMRPSA-N
XLogP2.67
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid with MolForge

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Related Compounds

1-N,2-N-bis(1-phenylethyl)cyclopentane-1,2-diamine
CID 23154294
cis-(1R,2S)-2-ethoxy-N-[(1R)-1-phenylethyl]cyclohexan-1-amine
CID 10988624
trans-(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 11020794
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentane-1-carboxylic acid
CID 10933381
trans-(1R,2R)-2-[[(1S)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10035860
trans-(1R,2R)-2-[[(1R)-1-phenylethyl]amino]cyclopentan-1-ol
CID 10171980
bis[(3S,4R)-3-methoxy-4-[[(1R)-1-phenylethyl]amino]piperidine-1-carbonyl] butanedioate
CID 135283675
(1S)-2-[[(1R)-1-phenylethyl]amino]-N-propan-2-ylcyclopentane-1-carboxamide
CID 143582335
cis-(1R,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377362
trans-(1S,2S)-2-methyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 95377360
trans-(1S,2R)-2-ethyl-N-[(1S)-1-phenylethyl]cyclopentan-1-amine
CID 45095253
3-[(3R)-3-[[(1S)-1-phenylethyl]amino]piperidin-4-yl]propanoic acid
CID 134420583

Frequently Asked Questions

What is the IUPAC name of 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid?
The IUPAC name of 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid (CID 11426718) is 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid.
What is the SMILES notation for 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid?
The canonical SMILES for 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid is C[C@H](N[C@H]1CCC[C@@H]1OC(=O)CCC(=O)O)c1ccccc1.
What is the InChIKey of 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid?
The InChIKey is UKMKRTIRMWJDIW-QEJZJMRPSA-N. The full InChI is InChI=1S/C17H23NO4/c1-12(13-6-3-2-4-7-13)18-14-8-5-9-15(14)22-17(21)11-10-16(19)20/h2-4,6-7,12,14-15,18H,5,8-11H2,1H3,(H,19,20)/t12-,14-,15-/m0/s1.
What are the key properties of 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid?
4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid has a molecular weight of 305.37 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-4-[(1S,2S)-2-[[(1S)-1-phenylethyl]amino]cyclopentyl]oxybutanoic acid is sourced from PubChem (CID 11426718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).