2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid

C15H29N3O3 — CID 62776812

IUPAC2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-5-13(4)18(11-14(19)20)15(21)17-8-6-16(7-9-17)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyLQUMXVYEILSUKY-UHFFFAOYSA-N
MW299.42 g/mol
LogP1.57
Rot. Bonds6

About 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid

2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid (PubChem CID 62776812) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
PubChem CID62776812
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC Name2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCN(CC(C)C)CC1
InChIInChI=1S/C15H29N3O3/c1-5-13(4)18(11-14(19)20)15(21)17-8-6-16(7-9-17)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,19,20)
InChIKeyLQUMXVYEILSUKY-UHFFFAOYSA-N
XLogP1.57
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid (CID 62776812) is 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1CCN(CC(C)C)CC1.
What is the InChIKey of 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid?
The InChIKey is LQUMXVYEILSUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-5-13(4)18(11-14(19)20)15(21)17-8-6-16(7-9-17)10-12(2)3/h12-13H,5-11H2,1-4H3,(H,19,20).
What are the key properties of 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid?
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid has a molecular weight of 299.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 62776812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).