4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid

C6H10N2O3 — CID 83815578

IUPAC4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCN1C(=O)C(N)CC1C(=O)O
InChIInChI=1S/C6H10N2O3/c1-8-4(6(10)11)2-3(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)
InChIKeyPHXUYSMUAZYCEJ-UHFFFAOYSA-N
MW158.16 g/mol
LogP-1.37
Rot. Bonds1

About 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid

4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 83815578) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
PubChem CID83815578
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid
SMILESCN1C(=O)C(N)CC1C(=O)O
InChIInChI=1S/C6H10N2O3/c1-8-4(6(10)11)2-3(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11)
InChIKeyPHXUYSMUAZYCEJ-UHFFFAOYSA-N
XLogP-1.37
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-5-oxo-4-propan-2-ylpyrrolidine-2-carboxylic acid
CID 115016869
4-(4-hydroxyphenyl)-1-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 115040648
methyl 5-amino-1-methyl-6-oxopiperidine-2-carboxylate
CID 83817545
(2S,4R)-4-hydroxy-5-oxo-1-(trideuteriomethyl)pyrrolidine-2-carboxylic acid
CID 140869902
(3R,6S,7aR)-6-amino-5-oxo-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazole-3-carboxylic acid
CID 99943676
5-carbamoyl-1-methyl-6-oxopiperazine-2-carboxylic acid
CID 66617104
(3S,6S)-6-amino-5-oxo-8-sulfanyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
CID 163466698
(4R)-3-methyl-2-oxoimidazolidine-4-carboxylic acid;(4S)-3-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 159158543
(2S,4R)-4-amino-1-methylpyrrolidine-2-carboxylic acid
CID 59097211
tetrakis((2R)-1-methyl-5-oxopyrrolidine-2-carboxylic acid);bis(rhodium)
CID 11297246
6-amino-8-carbamoyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid;6-amino-8-methyl-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylic acid
CID 158141875
3-amino-1-methyl-5-pyridin-4-ylpyrrolidin-2-one
CID 121209528

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid (CID 83815578) is 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid is CN1C(=O)C(N)CC1C(=O)O.
What is the InChIKey of 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is PHXUYSMUAZYCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-8-4(6(10)11)2-3(7)5(8)9/h3-4H,2,7H2,1H3,(H,10,11).
What are the key properties of 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid?
4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 158.16 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 83815578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).