2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid

C11H19N3O4 — CID 107436420

IUPAC2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O4/c1-7(2)5-14(6-10(16)17)11(18)8-3-13-9(15)4-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyBHSHCUGKXNGLOT-UHFFFAOYSA-N
MW257.29 g/mol
LogP-1.36
Rot. Bonds5

About 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid

2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid (PubChem CID 107436420) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
PubChem CID107436420
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)C1CNC(=O)CN1
InChIInChI=1S/C11H19N3O4/c1-7(2)5-14(6-10(16)17)11(18)8-3-13-9(15)4-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyBHSHCUGKXNGLOT-UHFFFAOYSA-N
XLogP-1.36
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-1.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-(2-methylbutyl)-5-oxopiperazine-2-carboxamide
CID 107437031
2-[2-methylpropyl-(5-oxopyrrolidine-2-carbonyl)amino]acetic acid
CID 63072039
2-[2-methylpropyl-[(3S)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]acetic acid
CID 103869274
N-(2-cyanopropyl)-N-ethyl-5-oxopiperazine-2-carboxamide
CID 107435329
2-[cyclopentyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid
CID 107435593
2-[2-methylpropyl-[(2R)-pyrrolidine-2-carbonyl]amino]acetic acid
CID 103869277
N-ethyl-N-(2-hydroxyethyl)-5-oxopiperazine-2-carboxamide
CID 107435117
5-oxo-N-propan-2-yl-N-propylpiperazine-2-carboxamide
CID 107433786
N-ethyl-N-methyl-5-oxopiperazine-2-carboxamide
CID 107433774
N-(3-hydroxybutyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107437656
2-[(6,6-dimethyl-5-oxothiomorpholine-3-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 122558853
N-cyclopropyl-5-oxo-N-propylpiperazine-2-carboxamide
CID 107433788

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The IUPAC name of 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid (CID 107436420) is 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)C1CNC(=O)CN1.
What is the InChIKey of 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
The InChIKey is BHSHCUGKXNGLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-7(2)5-14(6-10(16)17)11(18)8-3-13-9(15)4-12-8/h7-8,12H,3-6H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid?
2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid has a molecular weight of 257.29 g/mol, XLogP of -1.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl-(5-oxopiperazine-2-carbonyl)amino]acetic acid is sourced from PubChem (CID 107436420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).