3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid

C12H22N2O4 — CID 61216878

IUPAC3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCCOC1CCN(C(=O)NC(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-18-10-4-6-14(7-5-10)12(17)13-9(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBCLLYESYFAVQGP-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.06
Rot. Bonds5

About 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid

3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 61216878) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
PubChem CID61216878
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid
SMILESCCOC1CCN(C(=O)NC(C)CC(=O)O)CC1
InChIInChI=1S/C12H22N2O4/c1-3-18-10-4-6-14(7-5-10)12(17)13-9(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16)
InChIKeyBCLLYESYFAVQGP-UHFFFAOYSA-N
XLogP1.06
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[4-(2-hydroxyethoxy)piperidine-1-carbonyl]amino]butanoic acid
CID 82691194
2-[1-(pentan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63876957
3-[(4-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61191657
(2R)-4-amino-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-oxobutanoic acid
CID 107826479
2-(butan-2-ylamino)-1-(4-ethoxypiperidin-1-yl)ethanone
CID 61216682
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
N-[(2R)-butan-2-yl]-4-methoxypiperidine-1-carboxamide
CID 95051739
2-[1-[4-(dimethylamino)butan-2-ylcarbamoyl]piperidin-4-yl]oxyacetic acid
CID 63876453
2-[1-(3-methylbutan-2-ylcarbamoyl)piperidin-4-yl]oxyacetic acid
CID 63875575
(2S)-2-[(4-ethoxypiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 61216337
N-[(1S)-1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 95615954
N-[1-(3,5-dimethylphenyl)ethyl]-4-ethoxypiperidine-1-carboxamide
CID 56783177

Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid (CID 61216878) is 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid is CCOC1CCN(C(=O)NC(C)CC(=O)O)CC1.
What is the InChIKey of 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is BCLLYESYFAVQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-18-10-4-6-14(7-5-10)12(17)13-9(2)8-11(15)16/h9-10H,3-8H2,1-2H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid?
3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 258.32 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethoxypiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 61216878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).