2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid

C11H20N2O3 — CID 80539207

IUPAC2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(CCNC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)3-5-12-10(14)9-4-6-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXYJUDEVHAVBVDC-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.17
Rot. Bonds5

About 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid

2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid (PubChem CID 80539207) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
PubChem CID80539207
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
SMILESCC(CCNC(=O)C1CCN(C)C1)C(=O)O
InChIInChI=1S/C11H20N2O3/c1-8(11(15)16)3-5-12-10(14)9-4-6-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyXYJUDEVHAVBVDC-UHFFFAOYSA-N
XLogP0.17
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(cyclobutanecarbonylamino)-2-methylbutanoic acid
CID 80538268
4-[(4-aminocyclohexanecarbonyl)amino]-2-methylbutanoic acid
CID 80539751
1-methyl-N-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 62656990
3-methyl-2-[[(1-methylpyrrolidine-3-carbonyl)amino]methyl]butanoic acid
CID 65219948
2-methyl-4-[2-(1-methylpyrrolidin-3-yl)ethylamino]butanoic acid
CID 115220913
N-[2-(dimethylamino)ethyl]-1-methylpyrrolidine-3-carboxamide
CID 110849594
6-[(1-methylpyrrolidine-3-carbonyl)amino]hexanoic acid
CID 54938980
(2R)-2-[(1-methylpyrrolidine-3-carbonyl)amino]pentanoic acid
CID 107562789
4-[(4-carbamoylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540176
(2R)-3-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid
CID 79010718
4-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80540824
4-[[1-(cyclopropanecarbonyl)pyrrolidine-2-carbonyl]amino]-2-methylbutanoic acid
CID 80539316

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid (CID 80539207) is 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid is CC(CCNC(=O)C1CCN(C)C1)C(=O)O.
What is the InChIKey of 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
The InChIKey is XYJUDEVHAVBVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8(11(15)16)3-5-12-10(14)9-4-6-13(2)7-9/h8-9H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid?
2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylpyrrolidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 80539207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).