2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C23H34N2O3 — CID 11661034

IUPAC2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1)C(=O)O
InChIInChI=1S/C23H34N2O3/c1-2-8-19(21(26)27)15-23(12-6-7-13-23)22(28)24-20-11-14-25(17-20)16-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3,(H,24,28)(H,26,27)/t19?,20-/m1/s1
InChIKeyVVKKOYPFDLPBSF-GFOWMXPYSA-N
MW386.54 g/mol
LogP3.83
Rot. Bonds9

About 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11661034) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11661034
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1)C(=O)O
InChIInChI=1S/C23H34N2O3/c1-2-8-19(21(26)27)15-23(12-6-7-13-23)22(28)24-20-11-14-25(17-20)16-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3,(H,24,28)(H,26,27)/t19?,20-/m1/s1
InChIKeyVVKKOYPFDLPBSF-GFOWMXPYSA-N
XLogP3.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11661034) is 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N[C@@H]2CCN(Cc3ccccc3)C2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is VVKKOYPFDLPBSF-GFOWMXPYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-2-8-19(21(26)27)15-23(12-6-7-13-23)22(28)24-20-11-14-25(17-20)16-18-9-4-3-5-10-18/h3-5,9-10,19-20H,2,6-8,11-17H2,1H3,(H,24,28)(H,26,27)/t19?,20-/m1/s1.
What are the key properties of 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 386.54 g/mol, XLogP of 3.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[(3R)-1-benzylpyrrolidin-3-yl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11661034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).