1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid

C12H23NO2 — CID 114988020

IUPAC1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)8-10(3)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJQMBVYFYZRERDD-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.41
Rot. Bonds5

About 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid

1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid (PubChem CID 114988020) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid
PubChem CID114988020
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid
SMILESCC(C)CC(C)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H23NO2/c1-9(2)8-10(3)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyJQMBVYFYZRERDD-UHFFFAOYSA-N
XLogP2.41
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(butan-2-ylamino)cyclohexane-1-carboxylic acid
CID 61024667
1-(butan-2-ylamino)cycloheptane-1-carboxylic acid
CID 61024147
1-(butan-2-ylamino)cyclododecane-1-carboxylic acid
CID 61024396
1-[(1-amino-1-oxopropan-2-yl)amino]cyclooctane-1-carboxylic acid
CID 114991633
1-[(1-amino-1-oxopropan-2-yl)amino]cyclohexane-1-carboxylic acid
CID 82238350
1-[[(2R)-1-oxopropan-2-yl]amino]cyclohexane-1-carboxylic acid
CID 152629201
1-[1-(furan-2-yl)propan-2-ylamino]cyclopentane-1-carboxylic acid
CID 114990407
1-(but-3-en-2-ylamino)cyclobutane-1-carboxylic acid
CID 81167556
1-(2-hydroxypropylamino)cyclooctane-1-carboxylic acid
CID 82238303
1-(butan-2-ylamino)cycloheptane-1-carboxamide
CID 61023374
1-ethyl-4-(propan-2-ylamino)azepane-4-carboxylic acid
CID 65075898
1-[3-(propan-2-ylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 61160411

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid (CID 114988020) is 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid is CC(C)CC(C)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid?
The InChIKey is JQMBVYFYZRERDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-9(2)8-10(3)13-12(11(14)15)6-4-5-7-12/h9-10,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid?
1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid has a molecular weight of 213.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpentan-2-ylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114988020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).