2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid

C13H24N4O4 — CID 107438191

IUPAC2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-13(2,3)17-6-4-15(5-7-17)12(21)16(8-10(14)18)9-11(19)20/h4-9H2,1-3H3,(H2,14,18)(H,19,20)
InChIKeyRRNNGJHPTOXWSP-UHFFFAOYSA-N
MW300.36 g/mol
LogP-0.61
Rot. Bonds4

About 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid

2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 107438191) has the molecular formula C13H24N4O4 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID107438191
Molecular FormulaC13H24N4O4
Molecular Weight300.36 g/mol
Exact Mass300.18
IUPAC Name2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
SMILESCC(C)(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1
InChIInChI=1S/C13H24N4O4/c1-13(2,3)17-6-4-15(5-7-17)12(21)16(8-10(14)18)9-11(19)20/h4-9H2,1-3H3,(H2,14,18)(H,19,20)
InChIKeyRRNNGJHPTOXWSP-UHFFFAOYSA-N
XLogP-0.61
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid (CID 107438191) is 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid is CC(C)(C)N1CCN(C(=O)N(CC(N)=O)CC(=O)O)CC1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is RRNNGJHPTOXWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O4/c1-13(2,3)17-6-4-15(5-7-17)12(21)16(8-10(14)18)9-11(19)20/h4-9H2,1-3H3,(H2,14,18)(H,19,20).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid?
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 300.36 g/mol, XLogP of -0.61, 4 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-tert-butylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 107438191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).