2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

C13H23N3O4 — CID 63065252

IUPAC2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)N1CCN(C(=O)N(CC(=O)O)CC(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-10(2)8-16(9-12(18)19)13(20)15-6-4-14(5-7-15)11(3)17/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyGPDQKOVPIVCEKE-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.31
Rot. Bonds4

About 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid

2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63065252) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63065252
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(=O)N1CCN(C(=O)N(CC(=O)O)CC(C)C)CC1
InChIInChI=1S/C13H23N3O4/c1-10(2)8-16(9-12(18)19)13(20)15-6-4-14(5-7-15)11(3)17/h10H,4-9H2,1-3H3,(H,18,19)
InChIKeyGPDQKOVPIVCEKE-UHFFFAOYSA-N
XLogP0.31
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064386
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 81115479
2-[2-methylpropyl-(3-methylpyrrolidine-1-carbonyl)amino]acetic acid
CID 63064206
2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 63548304
2-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 82016011
2-[2-methylpropyl-(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]acetic acid
CID 102744971
2-[(3-ethylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63064381
N,N-bis(2-methylpropyl)piperidine-1-carboxamide
CID 115589131
2-[(3-carbamoylpiperidine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63066843
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-(2-methylpropyl)amino]acetic acid
CID 102727473
2-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
2-[[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]-(2-methylpropyl)amino]acetic acid
CID 63065094

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63065252) is 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(=O)N1CCN(C(=O)N(CC(=O)O)CC(C)C)CC1.
What is the InChIKey of 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is GPDQKOVPIVCEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-10(2)8-16(9-12(18)19)13(20)15-6-4-14(5-7-15)11(3)17/h10H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63065252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).