3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid

C13H23N3O3 — CID 112735135

IUPAC3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C)CCN1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-8-15(2)5-6-16(9)13(19)14-11(12(17)18)7-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyUICRNOVGSFGCTP-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.59
Rot. Bonds4

About 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid

3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid (PubChem CID 112735135) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
PubChem CID112735135
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid
SMILESCC1CN(C)CCN1C(=O)NC(CC1CC1)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-9-8-15(2)5-6-16(9)13(19)14-11(12(17)18)7-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyUICRNOVGSFGCTP-UHFFFAOYSA-N
XLogP0.59
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dimethylpiperazine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 114086047
3-cyclopropyl-2-[(3,4-dimethylpiperidine-1-carbonyl)amino]propanoic acid
CID 112735129
ethane;N,2,4-trimethylpiperazine-1-carboxamide
CID 144801941
2,4-dimethylpiperazine-1-carboxylic acid;hydrochloride
CID 146446814
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
(2S)-3-cyclopropyl-2-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]propanoic acid
CID 112734917
[(2S)-1-[(2R)-2,4-dimethylpiperazin-1-yl]-1-oxohexan-2-yl]urea
CID 124725714
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 62329876
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107566820
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]-3-hydroxypropanoic acid
CID 62329877

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid (CID 112735135) is 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid is CC1CN(C)CCN1C(=O)NC(CC1CC1)C(=O)O.
What is the InChIKey of 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid?
The InChIKey is UICRNOVGSFGCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-9-8-15(2)5-6-16(9)13(19)14-11(12(17)18)7-10-3-4-10/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid?
3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-[(2,4-dimethylpiperazine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 112735135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).