2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C21H37NO3 — CID 11537626

IUPAC2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CCCC1)C(=O)O
InChIInChI=1S/C21H37NO3/c1-3-9-16-11-5-6-12-18(16)22-20(25)21(13-7-8-14-21)15-17(10-4-2)19(23)24/h16-18H,3-15H2,1-2H3,(H,22,25)(H,23,24)/t16-,17?,18+/m0/s1
InChIKeyBUCJOPVIFDLZCA-PXKIYYGHSA-N
MW351.53 g/mol
LogP4.91
Rot. Bonds9

About 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11537626) has the molecular formula C21H37NO3 and a molecular weight of 351.53 g/mol. Its IUPAC name is 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11537626
Molecular FormulaC21H37NO3
Molecular Weight351.53 g/mol
Exact Mass351.28
IUPAC Name2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CCCC1)C(=O)O
InChIInChI=1S/C21H37NO3/c1-3-9-16-11-5-6-12-18(16)22-20(25)21(13-7-8-14-21)15-17(10-4-2)19(23)24/h16-18H,3-15H2,1-2H3,(H,22,25)(H,23,24)/t16-,17?,18+/m0/s1
InChIKeyBUCJOPVIFDLZCA-PXKIYYGHSA-N
XLogP4.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.53
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11537626) is 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is BUCJOPVIFDLZCA-PXKIYYGHSA-N. The full InChI is InChI=1S/C21H37NO3/c1-3-9-16-11-5-6-12-18(16)22-20(25)21(13-7-8-14-21)15-17(10-4-2)19(23)24/h16-18H,3-15H2,1-2H3,(H,22,25)(H,23,24)/t16-,17?,18+/m0/s1.
What are the key properties of 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 351.53 g/mol, XLogP of 4.91, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[(1R,2S)-2-propylcyclohexyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11537626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).