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

C14H25N3O3 — CID 61443373

IUPAC2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-8-6-15(7-9-16)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyIOKMYMKIWJYNSD-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.07
Rot. Bonds5

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

2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid (PubChem CID 61443373) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
PubChem CID61443373
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C14H25N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-8-6-15(7-9-16)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,18,19)
InChIKeyIOKMYMKIWJYNSD-UHFFFAOYSA-N
XLogP1.07
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl(butan-2-yl)amino]acetic acid
CID 79943366
2-[butan-2-yl-[4-(2-methylpropyl)piperazine-1-carbonyl]amino]acetic acid
CID 62776812
2-[butan-2-yl-[3-(hydroxymethyl)pyrrolidine-1-carbonyl]amino]acetic acid
CID 112626820
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979
2-[butan-2-yl-(3-hydroxy-8-azabicyclo[3.2.1]octane-8-carbonyl)amino]acetic acid
CID 63769474
2-[butan-2-yl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 102961951
2-[butan-2-yl-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]amino]acetic acid
CID 107223921
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 62775745
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55007622
2-[butan-2-yl-[2-(hydroxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 61407553
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid (CID 61443373) is 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid is CCC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid?
The InChIKey is IOKMYMKIWJYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-11(2)17(10-13(18)19)14(20)16-8-6-15(7-9-16)12-4-5-12/h11-12H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid?
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid has a molecular weight of 283.37 g/mol, XLogP of 1.07, 5 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-cyclopropylpiperazine-1-carbonyl)amino]acetic acid is sourced from PubChem (CID 61443373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).