2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

C13H23N3O3 — CID 61443277

IUPAC2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(2)16(9-12(17)18)13(19)15-7-5-14(6-8-15)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyGIDFRCGWLHLICX-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.68
Rot. Bonds4

About 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid

2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (PubChem CID 61443277) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
PubChem CID61443277
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
SMILESCC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(2)16(9-12(17)18)13(19)15-7-5-14(6-8-15)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyGIDFRCGWLHLICX-UHFFFAOYSA-N
XLogP0.68
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 ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[butan-2-yl-(4-cyclopropylpiperazine-1-carbonyl)amino]acetic acid
CID 61443373
2-[(4-cyclopentylpiperazine-1-carbonyl)-methylamino]acetic acid
CID 62369979
2-[[4-(2-hydroxyethyl)piperazine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 61201269
2-[(4-butan-2-ylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 62775745
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-[(3-hydroxy-4-methylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 102961835
2-[1,4-diazepane-1-carbonyl(propan-2-yl)amino]acetic acid
CID 61402822
3-[(4-cyclopropylpiperazine-1-carbonyl)-methylamino]-2-methylpropanoic acid
CID 55007622
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]-propan-2-ylamino]acetic acid
CID 64598633
2-[methyl-(4-piperidin-1-ylpiperidine-1-carbonyl)amino]acetic acid
CID 61243166
2-[3,6-dihydro-2H-pyridine-1-carbonyl(propan-2-yl)amino]acetic acid
CID 114411684
2-[(2,6-dimethylpiperidine-1-carbonyl)-propan-2-ylamino]acetic acid
CID 61189877

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid (CID 61443277) is 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is CC(C)N(CC(=O)O)C(=O)N1CCN(C2CC2)CC1.
What is the InChIKey of 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
The InChIKey is GIDFRCGWLHLICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(2)16(9-12(17)18)13(19)15-7-5-14(6-8-15)11-3-4-11/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid?
2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid has a molecular weight of 269.34 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropylpiperazine-1-carbonyl)-propan-2-ylamino]acetic acid is sourced from PubChem (CID 61443277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).