2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C21H31NO4 — CID 11682031

IUPAC2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C21H31NO4/c1-2-8-17(19(24)25)14-21(11-6-7-12-21)20(26)22-18(15-23)13-16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3,(H,22,26)(H,24,25)/t17?,18-/m0/s1
InChIKeyXLWZIHIVUQLEGZ-ZVAWYAOSSA-N
MW361.48 g/mol
LogP3.16
Rot. Bonds10

About 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11682031) has the molecular formula C21H31NO4 and a molecular weight of 361.48 g/mol. Its IUPAC name is 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11682031
Molecular FormulaC21H31NO4
Molecular Weight361.48 g/mol
Exact Mass361.23
IUPAC Name2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C21H31NO4/c1-2-8-17(19(24)25)14-21(11-6-7-12-21)20(26)22-18(15-23)13-16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3,(H,22,26)(H,24,25)/t17?,18-/m0/s1
InChIKeyXLWZIHIVUQLEGZ-ZVAWYAOSSA-N
XLogP3.16
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]cyclopentane-1-carboxamide
CID 102677400
1-(aminomethyl)-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]cyclohexane-1-carboxamide
CID 107860983
(2R)-2-[(1-phenylmethoxycarbonylcyclopentyl)methyl]pentanoic acid
CID 59892210
(2R)-2-[[1-[[(2R)-1-carboxy-3-[(4-fluorophenyl)methoxy]propan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 58633481
1-cyano-N-(1-hydroxy-3-phenylpropan-2-yl)cyclopentane-1-carboxamide
CID 63264607
4-(aminomethyl)-N-(1-hydroxy-3-phenylpropan-2-yl)oxane-4-carboxamide
CID 115439571
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpiperidine-2-carboxamide
CID 107863134
(2R)-2-[[1-[[(2R)-1-[(4-chlorophenyl)methoxy]-4-ethoxy-4-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 58633527
(2S)-2-[[1-[[(2S)-1-ethoxy-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]-4-phenylbutanoic acid
CID 67799266
N-(1-hydroxy-3-phenylpropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63261449
2-[[1-[[4-ethoxy-1-[(6-methyl-3-pyridinyl)methoxy]-4-oxobutan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
CID 22145588
N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-2-methylpyrrolidine-2-carboxamide
CID 107863123

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11682031) is 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N[C@H](CO)Cc2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is XLWZIHIVUQLEGZ-ZVAWYAOSSA-N. The full InChI is InChI=1S/C21H31NO4/c1-2-8-17(19(24)25)14-21(11-6-7-12-21)20(26)22-18(15-23)13-16-9-4-3-5-10-16/h3-5,9-10,17-18,23H,2,6-8,11-15H2,1H3,(H,22,26)(H,24,25)/t17?,18-/m0/s1.
What are the key properties of 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 361.48 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11682031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).