2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

C18H30N2O4 — CID 11566264

IUPAC2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCCC1)C(=O)O
InChIInChI=1S/C18H30N2O4/c1-2-5-13(16(22)23)11-18(8-3-4-9-18)17(24)20-14-7-6-12(10-14)15(19)21/h12-14H,2-11H2,1H3,(H2,19,21)(H,20,24)(H,22,23)/t12-,13?,14+/m0/s1
InChIKeyQESHLPVSQRLPLL-SMEJFCCLSA-N
MW338.45 g/mol
LogP2.21
Rot. Bonds8

About 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid

2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (PubChem CID 11566264) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.

Molecular Properties

Compound Name2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
PubChem CID11566264
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid
SMILESCCCC(CC1(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCCC1)C(=O)O
InChIInChI=1S/C18H30N2O4/c1-2-5-13(16(22)23)11-18(8-3-4-9-18)17(24)20-14-7-6-12(10-14)15(19)21/h12-14H,2-11H2,1H3,(H2,19,21)(H,20,24)(H,22,23)/t12-,13?,14+/m0/s1
InChIKeyQESHLPVSQRLPLL-SMEJFCCLSA-N
XLogP2.21
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The IUPAC name of 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid (CID 11566264) is 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid.
What is the SMILES notation for 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The canonical SMILES for 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is CCCC(CC1(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
The InChIKey is QESHLPVSQRLPLL-SMEJFCCLSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-2-5-13(16(22)23)11-18(8-3-4-9-18)17(24)20-14-7-6-12(10-14)15(19)21/h12-14H,2-11H2,1H3,(H2,19,21)(H,20,24)(H,22,23)/t12-,13?,14+/m0/s1.
What are the key properties of 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid?
2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid has a molecular weight of 338.45 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[(1R,3S)-3-carbamoylcyclopentyl]carbamoyl]cyclopentyl]methyl]pentanoic acid is sourced from PubChem (CID 11566264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).