2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid

C14H26N2O3 — CID 64701906

IUPAC2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(C)C(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(3)9-15-13(19)16-14(8-12(17)18)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBWQBZSJWAKNAEH-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.37
Rot. Bonds6

About 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid

2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid (PubChem CID 64701906) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
PubChem CID64701906
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid
SMILESCC(C)C(C)CNC(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C14H26N2O3/c1-10(2)11(3)9-15-13(19)16-14(8-12(17)18)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19)
InChIKeyBWQBZSJWAKNAEH-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-methylpropylcarbamoylamino)cyclohexyl]acetic acid
CID 64702378
2-[1-[2-(dimethylamino)propylcarbamoylamino]cyclohexyl]acetic acid
CID 64700507
2-[1-[(2-methyl-3-methylsulfanylpropyl)carbamoylamino]cyclobutyl]acetic acid
CID 79852021
2-[1-(ethylcarbamoylamino)cyclobutyl]acetic acid
CID 79846518
2-[1-(3-methylbut-2-enylcarbamoylamino)cyclopentyl]acetic acid
CID 106191220
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(pentylcarbamoylamino)cyclopentyl]acetic acid
CID 64700433
2-[1-[(2-methoxy-2-oxoethyl)carbamoylamino]cyclohexyl]acetic acid
CID 64701993
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-[(2-amino-3-methylbutanoyl)amino]cyclopentyl]acetic acid
CID 64702283
2-[1-[[(2S)-2-amino-3-methylbutanoyl]amino]cyclopentyl]acetic acid
CID 64701117
2-[1-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]cyclohexyl]acetic acid
CID 64699672

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid (CID 64701906) is 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid is CC(C)C(C)CNC(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid?
The InChIKey is BWQBZSJWAKNAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-10(2)11(3)9-15-13(19)16-14(8-12(17)18)6-4-5-7-14/h10-11H,4-9H2,1-3H3,(H,17,18)(H2,15,16,19).
What are the key properties of 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid?
2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid has a molecular weight of 270.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dimethylbutylcarbamoylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 64701906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).