1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

C12H22N2O3 — CID 61186660

IUPAC1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-9(4-2)13-11(17)14-12(10(15)16)7-5-6-8-12/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyPNYHXYUJDMZIDR-UHFFFAOYSA-N
MW242.32 g/mol
LogP1.87
Rot. Bonds5

About 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid

1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 61186660) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID61186660
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCC(CC)NC(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C12H22N2O3/c1-3-9(4-2)13-11(17)14-12(10(15)16)7-5-6-8-12/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17)
InChIKeyPNYHXYUJDMZIDR-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(pent-1-yn-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106232227
1-(3-ethylpentan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 63842552
1-(pent-1-yn-3-ylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 106232145
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
1-(1-cyclopropylbutan-2-ylcarbamoylamino)-3-methylcyclohexane-1-carboxylic acid
CID 63993781
1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61498908
1-(2-methylbutylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 62103455
1-(1-phenylpropylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162628
1-(hexylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 29006531
1-(but-3-yn-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 114418397
1-(1-cyclopropylethylcarbamoylamino)cycloheptane-1-carboxylic acid
CID 61198115
1-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoylamino]cyclopentane-1-carboxylic acid
CID 61478777

Frequently Asked Questions

What is the IUPAC name of 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 61186660) is 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CCC(CC)NC(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is PNYHXYUJDMZIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-3-9(4-2)13-11(17)14-12(10(15)16)7-5-6-8-12/h9H,3-8H2,1-2H3,(H,15,16)(H2,13,14,17).
What are the key properties of 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 242.32 g/mol, XLogP of 1.87, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61186660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).