2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

C14H26N2O3 — CID 79799194

IUPAC2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(C)(CC)C(=O)O)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-4-7-14(8-6-9-15-10-14)11(17)16-13(3,5-2)12(18)19/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKUPYHSVAILOQDF-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.53
Rot. Bonds6

About 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid

2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (PubChem CID 79799194) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
PubChem CID79799194
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
SMILESCCCC1(C(=O)NC(C)(CC)C(=O)O)CCCNC1
InChIInChI=1S/C14H26N2O3/c1-4-7-14(8-6-9-15-10-14)11(17)16-13(3,5-2)12(18)19/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyKUPYHSVAILOQDF-UHFFFAOYSA-N
XLogP1.53
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-ethylpiperidine-4-carbonyl)amino]-2-methylbutanoic acid
CID 79798379
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(1-methylsulfonylpropan-2-yl)-3-propylpiperidine-3-carboxamide
CID 64642823

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The IUPAC name of 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid (CID 79799194) is 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is CCCC1(C(=O)NC(C)(CC)C(=O)O)CCCNC1.
What is the InChIKey of 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
The InChIKey is KUPYHSVAILOQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-7-14(8-6-9-15-10-14)11(17)16-13(3,5-2)12(18)19/h15H,4-10H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid?
2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid has a molecular weight of 270.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79799194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).