methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate

C10H20N2O2 — CID 107424033

IUPACmethyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)CNC1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(9(13)14-3)6-12-10(2)4-5-11-7-10/h8,11-12H,4-7H2,1-3H3
InChIKeySLLZLVPRTTUMPA-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.14
Rot. Bonds4

About methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate

methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate (PubChem CID 107424033) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
PubChem CID107424033
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Namemethyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate
SMILESCOC(=O)C(C)CNC1(C)CCNC1
InChIInChI=1S/C10H20N2O2/c1-8(9(13)14-3)6-12-10(2)4-5-11-7-10/h8,11-12H,4-7H2,1-3H3
InChIKeySLLZLVPRTTUMPA-UHFFFAOYSA-N
XLogP0.14
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-(2-methylbutyl)pyrrolidin-3-amine
CID 107424428
N-(2,2-diethoxyethyl)-3-methylpyrrolidin-3-amine
CID 107424198
N-ethyl-3-methylpyrrolidin-3-amine
CID 107423762
2-[(3-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 107424618
2-[(3-methylpyrrolidin-3-yl)amino]-N-(3-propan-2-yloxypropyl)acetamide
CID 107424328
methyl 2-hydroxy-3-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 107222737
methyl (2R)-2-[(3-methylpyrrolidine-3-carbonyl)amino]propanoate
CID 119781278
2-ethoxy-N-(3-methylpyrrolidin-3-yl)acetamide
CID 107422673
methyl 2-[(4-methylpiperidin-4-yl)sulfamoyl]propanoate
CID 114696700
methyl 3-(methoxyamino)-2-methylpropanoate
CID 60702587
2-methyl-N-(4-methylpiperidin-4-yl)propanamide
CID 114696426
methyl 2-methyl-5-[[(3-methylpyrrolidin-3-yl)amino]methyl]furan-3-carboxylate
CID 107424626

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate (CID 107424033) is methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate is COC(=O)C(C)CNC1(C)CCNC1.
What is the InChIKey of methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate?
The InChIKey is SLLZLVPRTTUMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(9(13)14-3)6-12-10(2)4-5-11-7-10/h8,11-12H,4-7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate?
methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate has a molecular weight of 200.28 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(3-methylpyrrolidin-3-yl)amino]propanoate is sourced from PubChem (CID 107424033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).