(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid

C11H20N2O5 — CID 107839176

IUPAC(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-2-18-8-4-3-5-13(7-8)11(17)12-6-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyBVYPFWWFXGMFBS-GKAPJAKFSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds5

About (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid

(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid (PubChem CID 107839176) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
PubChem CID107839176
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
SMILESCCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1
InChIInChI=1S/C11H20N2O5/c1-2-18-8-4-3-5-13(7-8)11(17)12-6-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1
InChIKeyBVYPFWWFXGMFBS-GKAPJAKFSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-hydroxy-3-[(3-propoxypiperidine-1-carbonyl)amino]propanoic acid
CID 107839175
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65221277
2-[[(3-ethoxypiperidine-1-carbonyl)amino]methyl]-3-methylbutanoic acid
CID 65221372
3-[(4-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66164892
(2S)-2-hydroxy-3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840674
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-3-methylbutanoic acid
CID 54990167
2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-hydroxybutanoic acid
CID 54990215
(2S)-2-hydroxy-3-[(4-propan-2-ylazepane-1-carbonyl)amino]propanoic acid
CID 107840142
3-[(4-ethylazepane-1-carbonyl)amino]-2-hydroxypropanoic acid
CID 66166177
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
(2S)-2-[(3-ethoxypiperidine-1-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305383
N-cyclohexyl-3-ethoxypiperidine-1-carboxamide
CID 115592808

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The IUPAC name of (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid (CID 107839176) is (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid.
What is the SMILES notation for (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The canonical SMILES for (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid is CCOC1CCCN(C(=O)NC[C@H](O)C(=O)O)C1.
What is the InChIKey of (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
The InChIKey is BVYPFWWFXGMFBS-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-2-18-8-4-3-5-13(7-8)11(17)12-6-9(14)10(15)16/h8-9,14H,2-7H2,1H3,(H,12,17)(H,15,16)/t8?,9-/m0/s1.
What are the key properties of (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid?
(2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[(3-ethoxypiperidine-1-carbonyl)amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 107839176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).