2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

C12H19N3O4 — CID 79383612

IUPAC2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O4/c1-7-9(11(17)18)4-5-15(7)12(19)13-6-8-2-3-10(16)14-8/h7-9H,2-6H2,1H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyICKWXLXDVIGMCL-UHFFFAOYSA-N
MW269.30 g/mol
LogP-0.23
Rot. Bonds3

About 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid

2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (PubChem CID 79383612) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
PubChem CID79383612
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
SMILESCC1C(C(=O)O)CCN1C(=O)NCC1CCC(=O)N1
InChIInChI=1S/C12H19N3O4/c1-7-9(11(17)18)4-5-15(7)12(19)13-6-8-2-3-10(16)14-8/h7-9H,2-6H2,1H3,(H,13,19)(H,14,16)(H,17,18)
InChIKeyICKWXLXDVIGMCL-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-(Acetylamino-methyl)-4-amino-1-(ethyl-isopropyl-carbamoyl)-pyrrolidine-3-carboxylic acid
CID 505894
(3S,4S)-4-amino-1-[(5-hydroxy-5-oxo-pentyl)-isopropyl-carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278238
4-Amino-1-[(4-carboxy-butyl)-isopropyl-carbamoyl]-pyrrolidine-3-carboxylic acid
CID 44272408
(2R,3S,4R)-4-amino-1-[ethyl(propan-2-yl)carbamoyl]-2-[[(2,2,2-trifluoroacetyl)amino]methyl]pyrrolidine-3-carboxylic acid
CID 90666881
(3S,4S,5R)-5-(acetamidomethyl)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 503255
5-(Acetamidomethyl)-4-amino-1-(dimethylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 503256
5-(Acetamidomethyl)-4-amino-1-(methylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 503257
(3S,4S,5S)-5-(acetamidomethyl)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 505895
(3R,4R,5R)-5-(acetamidomethyl)-4-amino-1-[ethyl(isopropyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 505896
(3S,4S)-4-amino-1-[(4-hydroxy-4-oxo-butyl)-isopropyl-carbamoyl]pyrrolidine-3-carboxylic acid
CID 5278237
(3S,4S)-1-(diisopropylcarbamoyl)-4-(methylamino)pyrrolidine-3-carboxylic acid
CID 5278242
(3S,4S)-1-(diisopropylcarbamoyl)-4-(dimethylcarbamoylamino)pyrrolidine-3-carboxylic acid
CID 5278245

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid (CID 79383612) is 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is CC1C(C(=O)O)CCN1C(=O)NCC1CCC(=O)N1.
What is the InChIKey of 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
The InChIKey is ICKWXLXDVIGMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-7-9(11(17)18)4-5-15(7)12(19)13-6-8-2-3-10(16)14-8/h7-9H,2-6H2,1H3,(H,13,19)(H,14,16)(H,17,18).
What are the key properties of 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid?
2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-oxopyrrolidin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).