2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid

C13H24N2O3 — CID 64699645

IUPAC2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCC(CC)NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(18)15-13(9-11(16)17)7-5-6-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyCEJSGPCSOYXKSG-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.26
Rot. Bonds6

About 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64699645) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64699645
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
SMILESCCC(CC)NC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(18)15-13(9-11(16)17)7-5-6-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeyCEJSGPCSOYXKSG-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(pent-1-yn-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 114161541
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(1-methoxypentan-2-ylcarbamoylamino)cyclobutyl]acetic acid
CID 79851151
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
1-(pentan-3-ylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 61186660
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[(1-ethoxy-1-oxopropan-2-yl)carbamoylamino]cyclobutyl]acetic acid
CID 79851456
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-[2-oxo-2-(pentan-3-ylcarbamoylamino)ethyl]cyclopentyl]acetic acid
CID 61072069
2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-(2-aminobutanoylamino)cyclohexyl]acetic acid
CID 64684113

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid (CID 64699645) is 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid is CCC(CC)NC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is CEJSGPCSOYXKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-10(4-2)14-12(18)15-13(9-11(16)17)7-5-6-8-13/h10H,3-9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 256.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64699645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).