2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid

C14H26N2O3 — CID 61205743

IUPAC2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)11(12(17)18)16-13(19)15-9-8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFFPQGHUVAOVVPC-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds5

About 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid

2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid (PubChem CID 61205743) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
PubChem CID61205743
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid
SMILESCC(C)(C)C(NC(=O)NCCC1CCCC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-14(2,3)11(12(17)18)16-13(19)15-9-8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyFFPQGHUVAOVVPC-UHFFFAOYSA-N
XLogP2.37
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(3-cyclopentylpropylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103995487
(2S)-2-[2-[cyclopentyl(methyl)amino]ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 63317153
(2R)-2-(2-cyclopentylethylcarbamoylamino)-3-hydroxypropanoic acid
CID 80757095
(2S)-2-(3-cyclohexylpropanoylamino)-3,3-dimethylbutanoic acid
CID 61143658
2-(2-cyclopentylethylcarbamoylamino)pentanoic acid
CID 61205747
2-(2-cyclopentylethylcarbamoylamino)-4-methylpentanoic acid
CID 61205392
(2R)-2-(2-aminoethylcarbamoylamino)-3,3-dimethylbutanoic acid
CID 103927689
(2S,3S)-2-(2-cyclohexylethylcarbamoylamino)-3-methylpentanoic acid
CID 61206115
(2R)-2-(2-cyclohexylethylcarbamoylamino)-4-methylpentanoic acid
CID 78976455
(2R)-2-[(2-cycloheptylacetyl)amino]-3,3-dimethylbutanoic acid
CID 104928854
(2R)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3,3-dimethylbutanoic acid
CID 103928257
(2R)-3,3-dimethyl-2-(3-methylbutylcarbamoylamino)butanoic acid
CID 103927496

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The IUPAC name of 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid (CID 61205743) is 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid is CC(C)(C)C(NC(=O)NCCC1CCCC1)C(=O)O.
What is the InChIKey of 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid?
The InChIKey is FFPQGHUVAOVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-14(2,3)11(12(17)18)16-13(19)15-9-8-10-6-4-5-7-10/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid?
2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentylethylcarbamoylamino)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 61205743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).