2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid

C12H22N4O4 — CID 107438046

IUPAC2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C12H22N4O4/c1-9(2)14-3-5-15(6-4-14)12(20)16(7-10(13)17)8-11(18)19/h9H,3-8H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyJLYBFFVQPXQIQF-UHFFFAOYSA-N
MW286.33 g/mol
LogP-1.00
Rot. Bonds5

About 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 107438046) has the molecular formula C12H22N4O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID107438046
Molecular FormulaC12H22N4O4
Molecular Weight286.33 g/mol
Exact Mass286.16
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C12H22N4O4/c1-9(2)14-3-5-15(6-4-14)12(20)16(7-10(13)17)8-11(18)19/h9H,3-8H2,1-2H3,(H2,13,17)(H,18,19)
InChIKeyJLYBFFVQPXQIQF-UHFFFAOYSA-N
XLogP-1.00
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
2-[(2-amino-2-oxoethyl)-(morpholine-4-carbonyl)amino]acetic acid
CID 107435191
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperidine-1-carbonyl)amino]acetic acid
CID 107438598
2-[(2-amino-2-oxoethyl)-(4-ethyl-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 107438703
2-[(2-amino-2-oxoethyl)-(3,4-dimethylpyrrolidine-1-carbonyl)amino]acetic acid
CID 107438970
2-[4-[(2-amino-2-oxoethyl)-ethylcarbamoyl]piperazin-1-yl]acetic acid
CID 103103574
2-(dimethylamino)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 59553868
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[carboxymethyl-(4-methylsulfonylpiperazine-1-carbonyl)amino]acetic acid
CID 63646511
2-[carboxymethyl-(4,4-dimethylpiperidine-1-carbonyl)amino]acetic acid
CID 63645830
2-[carboxymethyl-(1-oxo-1,4-thiazinane-4-carbonyl)amino]acetic acid
CID 63645978
N-(2-amino-2-oxoethyl)-N-ethylazepane-1-carboxamide
CID 103101659

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid (CID 107438046) is 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid is CC(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is JLYBFFVQPXQIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O4/c1-9(2)14-3-5-15(6-4-14)12(20)16(7-10(13)17)8-11(18)19/h9H,3-8H2,1-2H3,(H2,13,17)(H,18,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-(4-propan-2-ylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107438046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).