2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C20H29NO3 — CID 11652860

IUPAC2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@H](C)c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C20H29NO3/c1-3-9-17(18(22)23)14-20(12-7-8-13-20)19(24)21-15(2)16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,17?/m1/s1
InChIKeySHLVYFJZGOGWOK-LDCVWXEPSA-N
MW331.46 g/mol
LogP4.32
Rot. Bonds8

About 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11652860) has the molecular formula C20H29NO3 and a molecular weight of 331.46 g/mol. Its IUPAC name is 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11652860
Molecular FormulaC20H29NO3
Molecular Weight331.46 g/mol
Exact Mass331.21
IUPAC Name2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@H](C)c2ccccc2)CCCC1)C(=O)O
InChIInChI=1S/C20H29NO3/c1-3-9-17(18(22)23)14-20(12-7-8-13-20)19(24)21-15(2)16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,17?/m1/s1
InChIKeySHLVYFJZGOGWOK-LDCVWXEPSA-N
XLogP4.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11652860) is 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N[C@H](C)c2ccccc2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is SHLVYFJZGOGWOK-LDCVWXEPSA-N. The full InChI is InChI=1S/C20H29NO3/c1-3-9-17(18(22)23)14-20(12-7-8-13-20)19(24)21-15(2)16-10-5-4-6-11-16/h4-6,10-11,15,17H,3,7-9,12-14H2,1-2H3,(H,21,24)(H,22,23)/t15-,17?/m1/s1.
What are the key properties of 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 331.46 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[(1R)-1-phenylethyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11652860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).