3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid

C15H27N3O3 — CID 62980664

IUPAC3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCN(CCNC(=O)N1CCCCC1CCC(=O)O)C1CC1
InChIInChI=1S/C15H27N3O3/c1-17(12-5-6-12)11-9-16-15(21)18-10-3-2-4-13(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyXYOQRMKEMDIOPF-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.51
Rot. Bonds7

About 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid

3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid (PubChem CID 62980664) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
PubChem CID62980664
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid
SMILESCN(CCNC(=O)N1CCCCC1CCC(=O)O)C1CC1
InChIInChI=1S/C15H27N3O3/c1-17(12-5-6-12)11-9-16-15(21)18-10-3-2-4-13(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20)
InChIKeyXYOQRMKEMDIOPF-UHFFFAOYSA-N
XLogP1.51
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
3-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]piperidin-2-yl]propanoic acid
CID 106021300
3-[(2-ethylpiperidine-1-carbonyl)amino]propanoic acid
CID 61194702
3-[1-(phenylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62217135
3-[1-(2-methoxypropylcarbamoyl)piperidin-2-yl]propanoic acid
CID 102699661
3-[1-[(2-ethoxy-2-methylpropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 114943422
4-[(2-ethylazepane-1-carbonyl)amino]butanoic acid
CID 104690969
3-[1-[(1-methylcyclopropyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 113485751
3-[1-(oxan-4-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 63705736
3-[1-[(4-iodophenyl)carbamoyl]piperidin-2-yl]propanoic acid
CID 62217205
3-[1-(oxan-2-ylmethylcarbamoyl)piperidin-2-yl]propanoic acid
CID 62209945
3-[methyl-(2-propylpiperidine-1-carbonyl)amino]propanoic acid
CID 83055352

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid (CID 62980664) is 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid is CN(CCNC(=O)N1CCCCC1CCC(=O)O)C1CC1.
What is the InChIKey of 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid?
The InChIKey is XYOQRMKEMDIOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-17(12-5-6-12)11-9-16-15(21)18-10-3-2-4-13(18)7-8-14(19)20/h12-13H,2-11H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid?
3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid has a molecular weight of 297.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62980664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).