2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

C14H25N3O4 — CID 63065094

IUPAC2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H25N3O4/c1-11(2)8-17(10-13(19)20)14(21)15(3)9-12(18)16-6-4-5-7-16/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyKVXIUFSBNSECJE-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.70
Rot. Bonds6

About 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid

2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (PubChem CID 63065094) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
PubChem CID63065094
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N(C)CC(=O)N1CCCC1
InChIInChI=1S/C14H25N3O4/c1-11(2)8-17(10-13(19)20)14(21)15(3)9-12(18)16-6-4-5-7-16/h11H,4-10H2,1-3H3,(H,19,20)
InChIKeyKVXIUFSBNSECJE-UHFFFAOYSA-N
XLogP0.70
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2-amino-2-oxoethyl)-(2-methylpropyl)carbamoyl]-methylamino]acetic acid
CID 55003671
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-amino-N-methyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)propanamide
CID 60963477
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
2-[[methyl-[2-oxo-2-(propylamino)ethyl]carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065970
(2S)-2-amino-N,4-dimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)pentanamide
CID 61164738
(2S)-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]propanoic acid
CID 78971244
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
1-(azepan-1-yl)-2-[2-hydroxypropyl(methyl)amino]ethanone
CID 62332976
2-[[methyl(oxan-3-ylmethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63706388
2-[[2-(azocan-1-yl)-2-oxoethyl]-butan-2-ylamino]acetic acid
CID 60832959
4-methyl-2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]pentanoic acid
CID 61439871

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid (CID 63065094) is 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N(C)CC(=O)N1CCCC1.
What is the InChIKey of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
The InChIKey is KVXIUFSBNSECJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-11(2)8-17(10-13(19)20)14(21)15(3)9-12(18)16-6-4-5-7-16/h11H,4-10H2,1-3H3,(H,19,20).
What are the key properties of 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid?
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid has a molecular weight of 299.37 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).