1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

C13H24N2O3 — CID 103463181

IUPAC1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-12(2,3)9-14-11(18)15-13(10(16)17)7-5-6-8-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyREKFBUVHSNJWDX-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds5

About 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 103463181) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID103463181
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(C)(C)CNC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-4-12(2,3)9-14-11(18)15-13(10(16)17)7-5-6-8-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18)
InChIKeyREKFBUVHSNJWDX-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylbutylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 103463422
1-[(3-amino-2,2-dimethyl-3-oxopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106279269
1-[(2-ethoxy-2-methylpropyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 114943563
1-[[2-(dimethylamino)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163246
1-[[2-(methanesulfonamido)-2-methylpropyl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163265
1-(prop-2-ynylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 24699063
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(2-cyclopropylpropan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114111630
2-[1-[(2,2-dimethylbutylcarbamoylamino)methyl]cyclobutyl]acetic acid
CID 103463370
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-[2-(2,2-dimethylbutylamino)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 103460264
1-(hexylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 29006529

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 103463181) is 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(C)(C)CNC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is REKFBUVHSNJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-12(2,3)9-14-11(18)15-13(10(16)17)7-5-6-8-13/h4-9H2,1-3H3,(H,16,17)(H2,14,15,18).
What are the key properties of 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylbutylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103463181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).