methyl 3-(cyclopentylmethylamino)butanoate

C11H21NO2 — CID 43536965

IUPACmethyl 3-(cyclopentylmethylamino)butanoate
SMILESCOC(=O)CC(C)NCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-9(7-11(13)14-2)12-8-10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3
InChIKeyKOESORVHRZSXIU-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds5

About methyl 3-(cyclopentylmethylamino)butanoate

methyl 3-(cyclopentylmethylamino)butanoate (PubChem CID 43536965) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 3-(cyclopentylmethylamino)butanoate.

Molecular Properties

Compound Namemethyl 3-(cyclopentylmethylamino)butanoate
PubChem CID43536965
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 3-(cyclopentylmethylamino)butanoate
SMILESCOC(=O)CC(C)NCC1CCCC1
InChIInChI=1S/C11H21NO2/c1-9(7-11(13)14-2)12-8-10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3
InChIKeyKOESORVHRZSXIU-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylmethylamino)butanoic acid
CID 43536958
3-(cyclobutylmethylamino)butanamide
CID 115676578
ethyl 3-[(4-methylcyclohexyl)methylamino]butanoate
CID 63243710
2-(cyclopentylmethylamino)propanoic acid
CID 61344306
(3R)-3-(cyclopentylmethylamino)butan-1-ol
CID 103923917
methyl 3-[2-(1-methylpiperidin-2-yl)ethylamino]butanoate
CID 114283759
N-(cyclopentylmethyl)-4-methoxy-4-methylpentan-2-amine
CID 43370737
6-(cyclopentylmethylamino)-2-methylheptanoic acid
CID 65289181
methyl (3S)-3-[[(3R)-3-(cyclopentanecarbonylamino)butanoyl]amino]butanoate
CID 95609074
methyl 2-(cyclopropylmethylamino)propanoate
CID 60780744
methyl 3-[(4-ethyl-1-hydroxycyclohexyl)methylamino]butanoate
CID 65118877
2-(cyclohexylmethylamino)propanamide
CID 43216154

Frequently Asked Questions

What is the IUPAC name of methyl 3-(cyclopentylmethylamino)butanoate?
The IUPAC name of methyl 3-(cyclopentylmethylamino)butanoate (CID 43536965) is methyl 3-(cyclopentylmethylamino)butanoate.
What is the SMILES notation for methyl 3-(cyclopentylmethylamino)butanoate?
The canonical SMILES for methyl 3-(cyclopentylmethylamino)butanoate is COC(=O)CC(C)NCC1CCCC1.
What is the InChIKey of methyl 3-(cyclopentylmethylamino)butanoate?
The InChIKey is KOESORVHRZSXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(7-11(13)14-2)12-8-10-5-3-4-6-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of methyl 3-(cyclopentylmethylamino)butanoate?
methyl 3-(cyclopentylmethylamino)butanoate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(cyclopentylmethylamino)butanoate is sourced from PubChem (CID 43536965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).