3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid

C13H22N2O3 — CID 113485751

IUPAC3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC1(NC(=O)N2CCCCC2CCC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-13(7-8-13)14-12(18)15-9-3-2-4-10(15)5-6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPVMZGAFWNHNKLE-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.97
Rot. Bonds4

About 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid

3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 113485751) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
PubChem CID113485751
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
SMILESCC1(NC(=O)N2CCCCC2CCC(=O)O)CC1
InChIInChI=1S/C13H22N2O3/c1-13(7-8-13)14-12(18)15-9-3-2-4-10(15)5-6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17)
InChIKeyPVMZGAFWNHNKLE-UHFFFAOYSA-N
XLogP1.97
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-methylcyclobutyl)carbamoyl]piperidin-2-yl]acetic acid
CID 113485792
3-[1-[(2,2-dimethylcyclopentyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 79872070
3-[1-(3-ethylpentan-2-ylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63843411
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-(dicyclopropylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62211691
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[1-[(4-hydroxycyclohexyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62215893
3-[1-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)piperidin-2-yl]propanoic acid
CID 103357315
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(2-methylsulfanylacetyl)piperidin-2-yl]propanoic acid
CID 62217465
3-[1-(3-amino-2-methylpropanoyl)piperidin-2-yl]propanoic acid
CID 62668947
2-[1-[[2-(2-hydroxyethyl)piperidine-1-carbonyl]amino]cyclobutyl]acetic acid
CID 79846736

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid (CID 113485751) is 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid is CC1(NC(=O)N2CCCCC2CCC(=O)O)CC1.
What is the InChIKey of 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is PVMZGAFWNHNKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-13(7-8-13)14-12(18)15-9-3-2-4-10(15)5-6-11(16)17/h10H,2-9H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 113485751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).