1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid

C14H22N2O4 — CID 43354240

IUPAC1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-9-8-11(9)13(18)15-5-2-12(17)16-6-3-10(4-7-16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyCGIZCPVUQOSZTH-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.47
Rot. Bonds5

About 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid

1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid (PubChem CID 43354240) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
PubChem CID43354240
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C14H22N2O4/c1-9-8-11(9)13(18)15-5-2-12(17)16-6-3-10(4-7-16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyCGIZCPVUQOSZTH-UHFFFAOYSA-N
XLogP0.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
CID 43355894
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
1-[3-(2,2-dimethylpropanoylamino)propanoyl]piperidine-4-carboxylic acid
CID 43170437
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522
N-[3-(3,5-dioxopiperazin-1-yl)-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 66085926
1-[3-(1-adamantylcarbamoylamino)propanoyl]piperidine-4-carboxylic acid
CID 119166668
1-[3-[(4-tert-butylbenzoyl)amino]propanoyl]piperidine-4-carboxylic acid
CID 119349224
N-(3-amino-3-oxopropyl)-2-methylcyclopropane-1-carboxamide
CID 43350590
1-(3-acetamidopropanoyl)piperidine-3,4-dicarboxylic acid
CID 115918220
2-methyl-N-[3-[4-(3-nitrophenyl)piperazin-1-yl]-3-oxopropyl]cyclopropane-1-carboxamide
CID 47041980
(1S,2R,4S)-N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 98759277

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid (CID 43354240) is 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid is CC1CC1C(=O)NCCC(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid?
The InChIKey is CGIZCPVUQOSZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-8-11(9)13(18)15-5-2-12(17)16-6-3-10(4-7-16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid?
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43354240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).