1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C14H26N2O3 — CID 63842552

IUPAC1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(5-2)10(3)15-13(19)16-14(12(17)18)8-6-7-9-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBYCKWUTTZIIRRW-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.51
Rot. Bonds6

About 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 63842552) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID63842552
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)C(C)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-4-11(5-2)10(3)15-13(19)16-14(12(17)18)8-6-7-9-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBYCKWUTTZIIRRW-UHFFFAOYSA-N
XLogP2.51
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
1-[(3-ethyl-4-methylpentanoyl)amino]cyclopentane-1-carboxylic acid
CID 119176447
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 61478777
1-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 103995625
1-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163444
1-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 81163023

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 63842552) is 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(CC)C(C)NC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BYCKWUTTZIIRRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-11(5-2)10(3)15-13(19)16-14(12(17)18)8-6-7-9-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63842552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).