3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid

C13H23N3O3 — CID 55007622

IUPAC3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)9-14(2)13(19)16-7-5-15(6-8-16)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyCLQLUKIDTIFPSE-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.54
Rot. Bonds4

About 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid

3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid (PubChem CID 55007622) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
PubChem CID55007622
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)C(=O)N1CCN(C2CC2)CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-10(12(17)18)9-14(2)13(19)16-7-5-15(6-8-16)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyCLQLUKIDTIFPSE-UHFFFAOYSA-N
XLogP0.54
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl-(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 55007166
3-[(4-tert-butylpiperidine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 62084014
3-[(4-ethoxycarbonylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 107877476
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979
3-[[3-(diethylamino)pyrrolidine-1-carbonyl]-methylamino]-2-methylpropanoic acid
CID 63548994
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61443277
2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-methyl-3-[methyl-(2-methyl-1,4-oxazepane-4-carbonyl)amino]propanoic acid
CID 55140571
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
3-[(2,2-dicyclopropylacetyl)-methylamino]-2-methylpropanoic acid
CID 120524386
1-(4-cyclopropylpiperazin-1-yl)-2-sulfanylpropan-1-one
CID 107024691
3-[[1-(dimethylcarbamoyl)piperidin-4-yl]-ethylamino]-2-methylpropanoic acid
CID 83265975

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid (CID 55007622) is 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid is CC(CN(C)C(=O)N1CCN(C2CC2)CC1)C(=O)O.
What is the InChIKey of 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is CLQLUKIDTIFPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(12(17)18)9-14(2)13(19)16-7-5-15(6-8-16)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid?
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55007622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).