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

C13H24N2O3 — CID 64817528

IUPAC2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CC)NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-9(4-2)14-13(18)15-11-8-5-7-10(11)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyBCRNZYDMJHZFBK-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.12
Rot. Bonds6

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

2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64817528) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
PubChem CID64817528
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CC)NC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C13H24N2O3/c1-3-6-9(4-2)14-13(18)15-11-8-5-7-10(11)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyBCRNZYDMJHZFBK-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
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

2-(1-cyclopropylbutan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817341
2-(1-methoxypentan-2-ylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64815427
2-(1-methoxybutan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64817719
2-(hexan-2-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64818299
(2R)-2-[(2-methylcyclopentyl)carbamoylamino]pentanoic acid
CID 107566972
2-(2-ethylhexanoylamino)cyclohexane-1-carboxylic acid
CID 64814795
2-[2-(aminomethyl)pentanoylamino]cyclohexane-1-carboxylic acid
CID 65228027
1-hexan-3-yl-3-(oxolan-3-yl)urea
CID 115759008
2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
2-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 103112486
2-[1-(1,3-thiazol-2-yl)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815807
(1S,6R)-6-(hexan-3-ylcarbamoyl)cyclohex-3-ene-1-carboxylic acid
CID 104962371

Frequently Asked Questions

What is the IUPAC name of 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid (CID 64817528) is 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is CCCC(CC)NC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is BCRNZYDMJHZFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-6-9(4-2)14-13(18)15-11-8-5-7-10(11)12(16)17/h9-11H,3-8H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid?
2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 2.12, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hexan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64817528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).