3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid

C13H24N2O3 — CID 114429130

IUPAC3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCCC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-9-5-6-14-10(7-9)12(18)15-13(2,3)8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyLVOJMBMPVRPODJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.13
Rot. Bonds5

About 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid

3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid (PubChem CID 114429130) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
PubChem CID114429130
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid
SMILESCCC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1
InChIInChI=1S/C13H24N2O3/c1-4-9-5-6-14-10(7-9)12(18)15-13(2,3)8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)
InChIKeyLVOJMBMPVRPODJ-UHFFFAOYSA-N
XLogP1.13
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylpiperidine-2-carbonyl)amino]-4-methylpentanoic acid
CID 114428891
3-methyl-3-[(4-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 113342121
7-[(4-ethylpiperidine-2-carbonyl)amino]heptanoic acid
CID 114428646
4-ethyl-N-(3-hydroxypropyl)piperidine-2-carboxamide
CID 114428024
4-ethyl-N-(3-methylbutan-2-yl)piperidine-2-carboxamide
CID 114428012
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]butanoic acid
CID 104921968
4-ethyl-N-(4-hydroxybutyl)piperidine-2-carboxamide
CID 106841954
4-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)piperidine-2-carboxamide
CID 106147963
4-ethyl-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 114428574
2-[1-[(4-ethylpiperidine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 114429129
(2S)-2-[(4-ethylpiperidine-2-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 104921912
N-(cyclohexylmethyl)-4-ethylpiperidine-2-carboxamide
CID 114428046

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid?
The IUPAC name of 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid (CID 114429130) is 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid is CCC1CCNC(C(=O)NC(C)(C)CC(=O)O)C1.
What is the InChIKey of 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid?
The InChIKey is LVOJMBMPVRPODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-9-5-6-14-10(7-9)12(18)15-13(2,3)8-11(16)17/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17).
What are the key properties of 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid?
3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethylpiperidine-2-carbonyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 114429130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).