3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid

C13H22N2O3 — CID 61188251

IUPAC3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCCN1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-10-4-2-3-8-14(10)13(18)15(11-5-6-11)9-7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyTZRSCZDDODWQNQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.92
Rot. Bonds4

About 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid

3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid (PubChem CID 61188251) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
PubChem CID61188251
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
SMILESCC1CCCCN1C(=O)N(CCC(=O)O)C1CC1
InChIInChI=1S/C13H22N2O3/c1-10-4-2-3-8-14(10)13(18)15(11-5-6-11)9-7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17)
InChIKeyTZRSCZDDODWQNQ-UHFFFAOYSA-N
XLogP1.92
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-methylpyrrolidine-1-carbonyl)-propan-2-ylamino]propanoic acid
CID 61208618
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]amino]propanoic acid
CID 62478683
3-[cyclopentanecarbonyl(cyclopropyl)amino]propanoic acid
CID 60845034
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
6-[(2-methylpiperidine-1-carbonyl)amino]-6-oxohexanoic acid
CID 43447279
5-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 43117881
3-[cyclopropyl-(1-methylsulfonylpiperidine-2-carbonyl)amino]propanoic acid
CID 60845046
2-[1-[butyl(cyclopropyl)carbamoyl]piperidin-2-yl]acetic acid
CID 61443667
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid (CID 61188251) is 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid is CC1CCCCN1C(=O)N(CCC(=O)O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
The InChIKey is TZRSCZDDODWQNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-10-4-2-3-8-14(10)13(18)15(11-5-6-11)9-7-12(16)17/h10-11H,2-9H2,1H3,(H,16,17).
What are the key properties of 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid is sourced from PubChem (CID 61188251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).