2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

C14H23NO3 — CID 114114619

IUPAC2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C1(CNC(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9(2)14(6-7-14)8-15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXPWQZOPQRUERSH-UHFFFAOYSA-N
MW253.34 g/mol
LogP2.04
Rot. Bonds5

About 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid

2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114114619) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114114619
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
SMILESCC(C)C1(CNC(=O)C2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H23NO3/c1-9(2)14(6-7-14)8-15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyXPWQZOPQRUERSH-UHFFFAOYSA-N
XLogP2.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 103952602
cis-(1R,2S)-4-methyl-2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114114631
2-[[(2R)-2-hydroxypropyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214739
2-[[1-(hydroxymethyl)cyclopropyl]methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115454200
2-[(1-hydroxy-4-methylcyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 65116832
2-(2-methylpropylcarbamoyl)cyclohexane-1-carboxylic acid
CID 3133162
2-[2-(2-methylpropanoylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60934525
N-[(1-propan-2-ylcyclopropyl)methyl]azocane-2-carboxamide
CID 114240294
2-(2,2-difluoroethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103979066
2-(prop-2-ynylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103977753
2-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]cyclopentane-1-carboxylic acid
CID 107214513
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid (CID 114114619) is 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is CC(C)C1(CNC(=O)C2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is XPWQZOPQRUERSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3/c1-9(2)14(6-7-14)8-15-12(16)10-4-3-5-11(10)13(17)18/h9-11H,3-8H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid?
2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 253.34 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylcyclopropyl)methylcarbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114114619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).