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

C13H24N2O4 — CID 63133312

IUPAC2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCC1(C(=O)NC(CCOC)C(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O4/c1-3-13(6-4-7-14-9-13)12(18)15-10(11(16)17)5-8-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVOGUZDTWOPCQEQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.37
Rot. Bonds7

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

2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid (PubChem CID 63133312) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
PubChem CID63133312
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid
SMILESCCC1(C(=O)NC(CCOC)C(=O)O)CCCNC1
InChIInChI=1S/C13H24N2O4/c1-3-13(6-4-7-14-9-13)12(18)15-10(11(16)17)5-8-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyVOGUZDTWOPCQEQ-UHFFFAOYSA-N
XLogP0.37
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-ethylpiperidine-3-carbonyl)amino]pentanedioic acid
CID 63131411
2-[(4-ethylpiperidine-4-carbonyl)amino]-5-methoxypentanoic acid
CID 81077834
3-ethyl-N-heptan-2-ylpiperidine-3-carboxamide
CID 63130413
methyl 2-[(3-ethylpiperidine-3-carbonyl)amino]-3-methylpentanoate
CID 63130798
(2R)-4-amino-4-oxo-2-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107824549
3-ethyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 63132202
(2S)-2-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoic acid
CID 63141520
2-[[4-(aminomethyl)oxane-4-carbonyl]amino]-4-methoxybutanoic acid
CID 115439531
methyl 4-methyl-2-[(3-propylpiperidine-3-carbonyl)amino]pentanoate
CID 63129989
2-[[1-(aminomethyl)cyclopentanecarbonyl]amino]-3-methoxypropanoic acid
CID 113309539
N-(cyclopropylmethyl)-3-ethylpiperidine-3-carboxamide
CID 63132114
(2R)-4-hydroxy-2-[(3-methylpiperidine-3-carbonyl)amino]butanoic acid
CID 107825163

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid (CID 63133312) is 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid is CCC1(C(=O)NC(CCOC)C(=O)O)CCCNC1.
What is the InChIKey of 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid?
The InChIKey is VOGUZDTWOPCQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-13(6-4-7-14-9-13)12(18)15-10(11(16)17)5-8-19-2/h10,14H,3-9H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid?
2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid has a molecular weight of 272.34 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylpiperidine-3-carbonyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 63133312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).