3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid

C15H27N3O3 — CID 64555062

IUPAC3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CCCC(N)(C(=O)N2CCN(CCC(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-12-3-2-5-15(16,11-12)14(21)18-9-7-17(8-10-18)6-4-13(19)20/h12H,2-11,16H2,1H3,(H,19,20)
InChIKeyVNEQWAYPEKFHLV-UHFFFAOYSA-N
MW297.40 g/mol
LogP0.51
Rot. Bonds4

About 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid

3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid (PubChem CID 64555062) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
PubChem CID64555062
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC1CCCC(N)(C(=O)N2CCN(CCC(=O)O)CC2)C1
InChIInChI=1S/C15H27N3O3/c1-12-3-2-5-15(16,11-12)14(21)18-9-7-17(8-10-18)6-4-13(19)20/h12H,2-11,16H2,1H3,(H,19,20)
InChIKeyVNEQWAYPEKFHLV-UHFFFAOYSA-N
XLogP0.51
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-amino-3-methylcyclohexanecarbonyl)-1,4-diazepan-1-yl]acetamide
CID 64552519
(1-amino-3-methylcyclohexyl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 64554205
(1-amino-3-methylcyclohexyl)-thiomorpholin-4-ylmethanone
CID 64550427
1-(1-amino-3-methylcyclohexanecarbonyl)pyrrolidine-3-carboxylic acid
CID 64554446
ethyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-4-carboxylate
CID 64550431
(1-amino-3-methylcyclohexyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103810951
(1-amino-3-methylcyclohexyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 102957262
4-(1-amino-3-methylcyclohexanecarbonyl)-1-methyl-1,4-diazepan-2-one
CID 102888929
(1-amino-3-methylcyclohexyl)-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743669
(1-amino-3-methylcyclohexyl)-(2-methylmorpholin-4-yl)methanone
CID 64549596
(1-amino-3-methylcyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 64554425
4-[(1-amino-3-methylcyclohexanecarbonyl)amino]butanoic acid
CID 64555264

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid (CID 64555062) is 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid is CC1CCCC(N)(C(=O)N2CCN(CCC(=O)O)CC2)C1.
What is the InChIKey of 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is VNEQWAYPEKFHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-12-3-2-5-15(16,11-12)14(21)18-9-7-17(8-10-18)6-4-13(19)20/h12H,2-11,16H2,1H3,(H,19,20).
What are the key properties of 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid?
3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-amino-3-methylcyclohexanecarbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64555062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).