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

C14H22N2O4 — CID 43355894

IUPAC1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-9-7-11(9)13(18)15-5-4-12(17)16-6-2-3-10(8-16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyZAPZPPUFTIGEGT-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.47
Rot. Bonds5

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

1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid (PubChem CID 43355894) 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-3-carboxylic acid.

Molecular Properties

Compound Name1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
PubChem CID43355894
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid
SMILESCC1CC1C(=O)NCCC(=O)N1CCCC(C(=O)O)C1
InChIInChI=1S/C14H22N2O4/c1-9-7-11(9)13(18)15-5-4-12(17)16-6-2-3-10(8-16)14(19)20/h9-11H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyZAPZPPUFTIGEGT-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-4-carboxylic acid
CID 43354240
(3S)-1-(3-acetamidopropanoyl)piperidine-3-carboxylic acid
CID 81125297
2-[[3-(azepan-1-yl)-3-oxopropyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120975723
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
(2S)-1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-2-carboxylic acid
CID 66262991
1-(3-methylsulfanylpropanoyl)piperidine-3-carboxylic acid
CID 43183413
4-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 115747522
(3R)-1-[4-(propan-2-ylamino)butanoyl]piperidine-3-carboxylic acid
CID 81119937
cis-(1S,3R)-3-[(1-butanoylpiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675880
(3R)-1-hexanoylpiperidine-3-carboxylic acid
CID 28880755
(3R)-1-[2-(methylamino)acetyl]piperidine-3-carboxylic acid
CID 81120275
1-(4-carboxybutanoyl)piperidine-3-carboxylic acid
CID 54794401

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid (CID 43355894) is 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid is CC1CC1C(=O)NCCC(=O)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-carboxylic acid?
The InChIKey is ZAPZPPUFTIGEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9-7-11(9)13(18)15-5-4-12(17)16-6-2-3-10(8-16)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-3-carboxylic acid?
1-[3-[(2-methylcyclopropanecarbonyl)amino]propanoyl]piperidine-3-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-3-carboxylic acid is sourced from PubChem (CID 43355894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).