2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid

C10H19N3O3 — CID 106318954

IUPAC2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
SMILESCNC(=O)C1(C)CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-10(9(16)12-2)3-4-13(6-10)5-7(11)8(14)15/h7H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMIFXAJRLAWYHRH-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.14
Rot. Bonds4

About 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid

2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 106318954) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
PubChem CID106318954
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
SMILESCNC(=O)C1(C)CCN(CC(N)C(=O)O)C1
InChIInChI=1S/C10H19N3O3/c1-10(9(16)12-2)3-4-13(6-10)5-7(11)8(14)15/h7H,3-6,11H2,1-2H3,(H,12,16)(H,14,15)
InChIKeyMIFXAJRLAWYHRH-UHFFFAOYSA-N
XLogP-1.14
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
methyl 2-bromo-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoate
CID 106318980
ethyl 3-hydroxy-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]butanoate
CID 106318945
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
N,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-3-carboxamide
CID 106318104
2-amino-3-(3-cyano-3-methylpyrrolidin-1-yl)propanoic acid
CID 164653376
1-(2-aminopropanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318154
(Z)-2-methyl-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]but-2-enoic acid
CID 106318992
1-(3-hydrazinyl-3-oxopropyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106322049
1-[2-(ethylamino)ethyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318064
1-(2-aminopentanoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106318225
1-(4-hydrazinyl-4-oxobutyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 114173352

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid (CID 106318954) is 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid is CNC(=O)C1(C)CCN(CC(N)C(=O)O)C1.
What is the InChIKey of 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is MIFXAJRLAWYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-10(9(16)12-2)3-4-13(6-10)5-7(11)8(14)15/h7H,3-6,11H2,1-2H3,(H,12,16)(H,14,15).
What are the key properties of 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid?
2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of -1.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 106318954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).