methyl 2-[(1-methylcyclopentyl)methylamino]butanoate

C12H23NO2 — CID 115353388

IUPACmethyl 2-[(1-methylcyclopentyl)methylamino]butanoate
SMILESCCC(NCC1(C)CCCC1)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-10(11(14)15-3)13-9-12(2)7-5-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyYHDMGNXXYBIACZ-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-[(1-methylcyclopentyl)methylamino]butanoate

methyl 2-[(1-methylcyclopentyl)methylamino]butanoate (PubChem CID 115353388) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl 2-[(1-methylcyclopentyl)methylamino]butanoate.

Molecular Properties

Compound Namemethyl 2-[(1-methylcyclopentyl)methylamino]butanoate
PubChem CID115353388
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl 2-[(1-methylcyclopentyl)methylamino]butanoate
SMILESCCC(NCC1(C)CCCC1)C(=O)OC
InChIInChI=1S/C12H23NO2/c1-4-10(11(14)15-3)13-9-12(2)7-5-6-8-12/h10,13H,4-9H2,1-3H3
InChIKeyYHDMGNXXYBIACZ-UHFFFAOYSA-N
XLogP2.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(1-ethylcyclobutyl)methylamino]butanoate
CID 107302654
methyl 2-[[1-(dimethylamino)cyclobutyl]methylamino]butanoate
CID 105415620
methyl 2-[(4-hydroxyoxan-4-yl)methylamino]butanoate
CID 115353524
methyl 2-[(3-hydroxyoxolan-3-yl)methylamino]butanoate
CID 106100069
methyl 2-(cyclopropylmethylamino)butanoate
CID 61001350
methyl (2R)-2-(cyclopropylmethylamino)butanoate
CID 67121985
methyl (2S)-2-amino-3-(1-methylcyclopentyl)propanoate
CID 58564877
methyl (2R)-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanoate
CID 99715442
3-[(1-methoxy-1-oxobutan-2-yl)amino]propanoic acid
CID 115352380
propan-2-yl N-[(1-methylcyclopentyl)methyl]carbamate
CID 116656090
methyl 5-[1-[(1-methylcyclopentyl)methylamino]ethyl]furan-2-carboxylate
CID 103250815
ethyl 2-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanoate
CID 107163692

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-methylcyclopentyl)methylamino]butanoate?
The IUPAC name of methyl 2-[(1-methylcyclopentyl)methylamino]butanoate (CID 115353388) is methyl 2-[(1-methylcyclopentyl)methylamino]butanoate.
What is the SMILES notation for methyl 2-[(1-methylcyclopentyl)methylamino]butanoate?
The canonical SMILES for methyl 2-[(1-methylcyclopentyl)methylamino]butanoate is CCC(NCC1(C)CCCC1)C(=O)OC.
What is the InChIKey of methyl 2-[(1-methylcyclopentyl)methylamino]butanoate?
The InChIKey is YHDMGNXXYBIACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-4-10(11(14)15-3)13-9-12(2)7-5-6-8-12/h10,13H,4-9H2,1-3H3.
What are the key properties of methyl 2-[(1-methylcyclopentyl)methylamino]butanoate?
methyl 2-[(1-methylcyclopentyl)methylamino]butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-methylcyclopentyl)methylamino]butanoate is sourced from PubChem (CID 115353388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).