methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride

C12H23ClN2O4 — CID 119819768

IUPACmethyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride
SMILESCOCC(C)(CC(=O)OC)NC(=O)C1CCNC1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-12(8-17-2,6-10(15)18-3)14-11(16)9-4-5-13-7-9;/h9,13H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyUUSWEYYDWDCJMG-UHFFFAOYSA-N
MW294.78 g/mol
LogP0.10
Rot. Bonds6

About methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride

methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride (PubChem CID 119819768) has the molecular formula C12H23ClN2O4 and a molecular weight of 294.78 g/mol. Its IUPAC name is methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride
PubChem CID119819768
Molecular FormulaC12H23ClN2O4
Molecular Weight294.78 g/mol
Exact Mass294.13
IUPAC Namemethyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride
SMILESCOCC(C)(CC(=O)OC)NC(=O)C1CCNC1.Cl
InChIInChI=1S/C12H22N2O4.ClH/c1-12(8-17-2,6-10(15)18-3)14-11(16)9-4-5-13-7-9;/h9,13H,4-8H2,1-3H3,(H,14,16);1H
InChIKeyUUSWEYYDWDCJMG-UHFFFAOYSA-N
XLogP0.10
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-ethyl-3-(piperidine-4-carbonylamino)pentanoate;hydrochloride
CID 119344214
(3S)-N-(2-methylbutan-2-yl)pyrrolidine-3-carboxamide
CID 94915342
2-methyl-2-(pyrrolidine-3-carbonylamino)propanoic acid
CID 63005212
(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
3-[(4,4-difluorocyclohexanecarbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532395
N-(4-methoxybutan-2-yl)pyrrolidine-3-carboxamide
CID 64603419
methyl 3-[(2-aminoacetyl)amino]-4-methoxy-3-methylbutanoate
CID 119344189
N-tert-butylpiperidine-3-carboxamide;hydrochloride
CID 56832046
methyl 2-(piperidine-3-carbonylamino)acetate
CID 60913799
N-(1,1-diphenylethyl)pyrrolidine-3-carboxamide
CID 119774474
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(3S)-N-(2-methylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 130617113

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride?
The IUPAC name of methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride (CID 119819768) is methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride.
What is the SMILES notation for methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride?
The canonical SMILES for methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride is COCC(C)(CC(=O)OC)NC(=O)C1CCNC1.Cl.
What is the InChIKey of methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride?
The InChIKey is UUSWEYYDWDCJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4.ClH/c1-12(8-17-2,6-10(15)18-3)14-11(16)9-4-5-13-7-9;/h9,13H,4-8H2,1-3H3,(H,14,16);1H.
What are the key properties of methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride?
methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride has a molecular weight of 294.78 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-methyl-3-(pyrrolidine-3-carbonylamino)butanoate;hydrochloride is sourced from PubChem (CID 119819768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).