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

C15H29N3O3 — CID 63064386

IUPAC2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-12(2)10-17(11-13(19)20)14(21)16-6-8-18(9-7-16)15(3,4)5/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyBEJHVKPOEVZVQB-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.57
Rot. Bonds4

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

2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (PubChem CID 63064386) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
PubChem CID63064386
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
SMILESCC(C)CN(CC(=O)O)C(=O)N1CCN(C(C)(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-12(2)10-17(11-13(19)20)14(21)16-6-8-18(9-7-16)15(3,4)5/h12H,6-11H2,1-5H3,(H,19,20)
InChIKeyBEJHVKPOEVZVQB-UHFFFAOYSA-N
XLogP1.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid
CID 63065252
2-[(2-amino-2-oxoethyl)-(4-tert-butylpiperazine-1-carbonyl)amino]acetic acid
CID 107438191
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-[ethyl(pyrrolidine-1-carbonyl)amino]acetic acid
CID 61187489
4-tert-butyl-N-(4-tert-butylpiperazin-1-yl)-N-methylpiperazine-1-carboxamide
CID 176629800

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The IUPAC name of 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid (CID 63064386) is 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The canonical SMILES for 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is CC(C)CN(CC(=O)O)C(=O)N1CCN(C(C)(C)C)CC1.
What is the InChIKey of 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
The InChIKey is BEJHVKPOEVZVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-12(2)10-17(11-13(19)20)14(21)16-6-8-18(9-7-16)15(3,4)5/h12H,6-11H2,1-5H3,(H,19,20).
What are the key properties of 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid?
2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylpiperazine-1-carbonyl)-(2-methylpropyl)amino]acetic acid is sourced from PubChem (CID 63064386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).