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

C13H23N3O4 — CID 63146947

IUPAC1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-9(2)6-16(7-10(14)17)12(20)15-5-4-13(3,8-15)11(18)19/h9H,4-8H2,1-3H3,(H2,14,17)(H,18,19)
InChIKeyCOFLCDVBTWDIFU-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.35
Rot. Bonds5

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

1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63146947) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63146947
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(C)CN(CC(N)=O)C(=O)N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N3O4/c1-9(2)6-16(7-10(14)17)12(20)15-5-4-13(3,8-15)11(18)19/h9H,4-8H2,1-3H3,(H2,14,17)(H,18,19)
InChIKeyCOFLCDVBTWDIFU-UHFFFAOYSA-N
XLogP0.35
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165966
1-[(2-amino-2-oxoethyl)-methylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135703
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
1-(2-amino-4-methylpentanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144084
1-[(2-ethoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146995
1-[2-hydroxyethyl(methyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63149285
3-methyl-1-(2-methylpropanoyl)pyrrolidine-3-carboxylic acid
CID 63142722
3-methylpyrrolidine-1,3-dicarboxylic acid
CID 23111893
3-methyl-1-[propyl(2,2,2-trifluoroethyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63147172
1-[2-methoxyethyl(3-methoxypropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63147332
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
2-[2-methylpropyl-(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]acetic acid
CID 102744971

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63146947) is 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC(C)CN(CC(N)=O)C(=O)N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is COFLCDVBTWDIFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)6-16(7-10(14)17)12(20)15-5-4-13(3,8-15)11(18)19/h9H,4-8H2,1-3H3,(H2,14,17)(H,18,19).
What are the key properties of 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63146947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).