1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

C12H21N3O4 — CID 114133807

IUPAC1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C)C(=O)CNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-14(3)9(16)7-13-12(19)15-6-5-8(2)10(15)11(17)18/h8,10H,4-7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyMFZNOAQNFSIUKE-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.03
Rot. Bonds4

About 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid

1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 114133807) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID114133807
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCCN(C)C(=O)CNC(=O)N1CCC(C)C1C(=O)O
InChIInChI=1S/C12H21N3O4/c1-4-14(3)9(16)7-13-12(19)15-6-5-8(2)10(15)11(17)18/h8,10H,4-7H2,1-3H3,(H,13,19)(H,17,18)
InChIKeyMFZNOAQNFSIUKE-UHFFFAOYSA-N
XLogP-0.03
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethoxy-2-oxoethyl)carbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102781899
3-methyl-1-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782998
3-methyl-1-[(2-oxo-2-piperidin-1-ylethyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782999
1-[2-[ethyl(methyl)amino]-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784243
(3S,4S)-1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114133908
3-methyl-1-[2-[methyl(propan-2-yl)amino]ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782518
1-(cyclobutylmethylcarbamoyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102781779
3-methyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102782299
1-[(1-ethylcyclobutyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 114108811
1-[(2-ethylphenyl)methylcarbamoyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102782795
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid (CID 114133807) is 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is CCN(C)C(=O)CNC(=O)N1CCC(C)C1C(=O)O.
What is the InChIKey of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is MFZNOAQNFSIUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-4-14(3)9(16)7-13-12(19)15-6-5-8(2)10(15)11(17)18/h8,10H,4-7H2,1-3H3,(H,13,19)(H,17,18).
What are the key properties of 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of -0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[ethyl(methyl)amino]-2-oxoethyl]carbamoyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114133807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).