methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate

C12H22N2O3 — CID 63143846

IUPACmethyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H22N2O3/c1-12(6-7-13-9-12)11(16)14(2)8-4-5-10(15)17-3/h13H,4-9H2,1-3H3
InChIKeyFRMZHFUSXSVQDA-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.40
Rot. Bonds5

About methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate

methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate (PubChem CID 63143846) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
PubChem CID63143846
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namemethyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1(C)CCNC1
InChIInChI=1S/C12H22N2O3/c1-12(6-7-13-9-12)11(16)14(2)8-4-5-10(15)17-3/h13H,4-9H2,1-3H3
InChIKeyFRMZHFUSXSVQDA-UHFFFAOYSA-N
XLogP0.40
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxypropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63142401
methyl 2-[methyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131941
methyl 2-[(3-methylpyrrolidine-3-carbonyl)-propylamino]acetate
CID 63143757
methyl 4-[(1-aminocyclobutanecarbonyl)-methylamino]butanoate
CID 81172837
N-[2-(3,5-dimethylphenoxy)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 63139967
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
methyl 3-[ethyl-[(3-methylpyrrolidin-3-yl)methyl]amino]propanoate
CID 120899081
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
methyl 4-[methyl-(2-piperazin-1-ylacetyl)amino]butanoate
CID 54944719
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63122134
N-cyclopropyl-N-(2-methoxyethyl)-3-methylpyrrolidine-3-carboxamide
CID 63143850
methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
CID 63122388

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate (CID 63143846) is methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C1(C)CCNC1.
What is the InChIKey of methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate?
The InChIKey is FRMZHFUSXSVQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-12(6-7-13-9-12)11(16)14(2)8-4-5-10(15)17-3/h13H,4-9H2,1-3H3.
What are the key properties of methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate?
methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate has a molecular weight of 242.32 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(3-methylpyrrolidine-3-carbonyl)amino]butanoate is sourced from PubChem (CID 63143846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).