2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid

C12H22N2O5 — CID 54990215

IUPAC2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCOC1CCCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-19-9-4-3-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyCPTADTZCMKVWEL-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.03
Rot. Bonds6

About 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid

2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 54990215) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID54990215
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCCOC1CCCN(C(=O)NC(CCO)C(=O)O)C1
InChIInChI=1S/C12H22N2O5/c1-2-19-9-4-3-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17)
InChIKeyCPTADTZCMKVWEL-UHFFFAOYSA-N
XLogP0.03
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
3-hydroxy-2-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 54989771
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
4-hydroxy-2-[(3-hydroxypiperidine-1-carbonyl)amino]butanoic acid
CID 61439608
(2S)-2-[(3-methoxypiperidine-1-carbonyl)amino]hexanoic acid
CID 107146678
(2R)-4-hydroxy-2-[[3-(hydroxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 107826333
(2R)-4-hydroxy-2-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 114005640
(2R)-2-[(3-carbamoylpiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 107825829
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 107839176
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine-2-carbonylamino)-4-hydroxybutanoic acid
CID 63154911
(2S)-5-amino-2-[(3-methoxypiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 102962992

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid (CID 54990215) is 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid is CCOC1CCCN(C(=O)NC(CCO)C(=O)O)C1.
What is the InChIKey of 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is CPTADTZCMKVWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-2-19-9-4-3-6-14(8-9)12(18)13-10(5-7-15)11(16)17/h9-10,15H,2-8H2,1H3,(H,13,18)(H,16,17).
What are the key properties of 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid?
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 54990215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).