methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride

C11H21ClN2O3 — CID 119279003

IUPACmethyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(=O)CCCN)CCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-16-10(15)11(6-2-3-7-11)13-9(14)5-4-8-12;/h2-8,12H2,1H3,(H,13,14);1H
InChIKeyHOVHJCYKAQRBRA-UHFFFAOYSA-N
MW264.75 g/mol
LogP0.75
Rot. Bonds5

About methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride

methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride (PubChem CID 119279003) has the molecular formula C11H21ClN2O3 and a molecular weight of 264.75 g/mol. Its IUPAC name is methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride
PubChem CID119279003
Molecular FormulaC11H21ClN2O3
Molecular Weight264.75 g/mol
Exact Mass264.12
IUPAC Namemethyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(NC(=O)CCCN)CCCC1.Cl
InChIInChI=1S/C11H20N2O3.ClH/c1-16-10(15)11(6-2-3-7-11)13-9(14)5-4-8-12;/h2-8,12H2,1H3,(H,13,14);1H
InChIKeyHOVHJCYKAQRBRA-UHFFFAOYSA-N
XLogP0.75
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.75
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-aminobutanoylamino)cyclohexane-1-carboxamide
CID 119296103
1-(7-aminoheptanoylamino)-N,N-diethylcyclohexane-1-carboxamide
CID 119743931
methyl 1-[[2-(butanoylamino)acetyl]amino]cyclopentane-1-carboxylate
CID 47423995
4-amino-N-[1-(4-methoxyphenyl)cyclopentyl]butanamide
CID 119309997
methyl 1-[3-(2-aminophenyl)propanoylamino]cycloheptane-1-carboxylate
CID 120608576
1-(3-aminopropanoylamino)cyclohexane-1-carboxamide
CID 119296087
4-amino-N-[[1-(2-methoxyethyl)cyclopentyl]methyl]butanamide;hydrochloride
CID 119339921
4-amino-N-[1-(3-methoxyphenyl)cyclopentyl]butanamide
CID 110460844
1-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
CID 22574849
N-[1-(aminomethyl)cyclopentyl]-5-methoxypentanamide;hydrochloride
CID 119567009
6-amino-N-[1-(hydroxymethyl)cyclohexyl]hexanamide
CID 55086608
4-(4-aminobutanoylamino)oxane-4-carboxylic acid
CID 115292423

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride (CID 119279003) is methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride is COC(=O)C1(NC(=O)CCCN)CCCC1.Cl.
What is the InChIKey of methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride?
The InChIKey is HOVHJCYKAQRBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3.ClH/c1-16-10(15)11(6-2-3-7-11)13-9(14)5-4-8-12;/h2-8,12H2,1H3,(H,13,14);1H.
What are the key properties of methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride?
methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride has a molecular weight of 264.75 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-aminobutanoylamino)cyclopentane-1-carboxylate;hydrochloride is sourced from PubChem (CID 119279003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).