2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid

C13H22N2O3 — CID 106739615

IUPAC2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NC(C)(C(=O)O)C2CC2)CCN1
InChIInChI=1S/C13H22N2O3/c1-8-7-9(5-6-14-8)11(16)15-13(2,12(17)18)10-3-4-10/h8-10,14H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHUNUMVDBUDGKNG-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.74
Rot. Bonds4

About 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid

2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid (PubChem CID 106739615) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
PubChem CID106739615
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Name2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid
SMILESCC1CC(C(=O)NC(C)(C(=O)O)C2CC2)CCN1
InChIInChI=1S/C13H22N2O3/c1-8-7-9(5-6-14-8)11(16)15-13(2,12(17)18)10-3-4-10/h8-10,14H,3-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyHUNUMVDBUDGKNG-UHFFFAOYSA-N
XLogP0.74
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(2-methylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 79389266
2-(cyclopentanecarbonylamino)-2-cyclopropylpropanoic acid
CID 43163071
2-[(4-aminocyclohexanecarbonyl)amino]-2-cyclopropylpropanoic acid
CID 61162345
(2S,4S)-2-methyl-N-[2-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120644604
(2S,4S)-2-methyl-N-[2-(5-methyl-1,3-thiazol-2-yl)propan-2-yl]piperidine-4-carboxamide
CID 120645775
2-methyl-N-[4-(trifluoromethyl)cyclohexyl]piperidine-4-carboxamide
CID 106739127
methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120637972
(2S,4S)-2-methyl-N-[4-(2-methylbutan-2-yl)cyclohexyl]piperidine-4-carboxamide
CID 120618489
N-[2-(4-bromophenyl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738889
4-tert-butyl-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 106995414
(2S,4S)-2-methyl-N-(3-methylcyclobutyl)piperidine-4-carboxamide
CID 120633929
2-cyclopropyl-2-[(5-methyloxolane-2-carbonyl)amino]propanoic acid
CID 81324373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid (CID 106739615) is 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid is CC1CC(C(=O)NC(C)(C(=O)O)C2CC2)CCN1.
What is the InChIKey of 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
The InChIKey is HUNUMVDBUDGKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-8-7-9(5-6-14-8)11(16)15-13(2,12(17)18)10-3-4-10/h8-10,14H,3-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid?
2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid has a molecular weight of 254.33 g/mol, XLogP of 0.74, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(2-methylpiperidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 106739615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).