2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid

C10H17NO4 — CID 63740599

IUPAC2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-2-11(7-12)9(10(13)14)8-4-3-5-15-6-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyIQHOTEYTFGMFMY-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds5

About 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid

2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 63740599) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID63740599
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCCN(C=O)C(C(=O)O)C1CCCOC1
InChIInChI=1S/C10H17NO4/c1-2-11(7-12)9(10(13)14)8-4-3-5-15-6-8/h7-9H,2-6H2,1H3,(H,13,14)
InChIKeyIQHOTEYTFGMFMY-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-cyclopentyl-2-[ethyl(formyl)amino]acetic acid
CID 63689813
2-(oxan-3-yl)butanoic acid
CID 82411862
2-cyclohex-3-en-1-yl-2-[ethyl(formyl)amino]acetic acid
CID 63689811
2-[hydroxy(oxan-3-yl)methyl]butanoic acid
CID 63740789
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
2-(oxan-3-yl)pentan-3-one
CID 107135382
3-(oxan-3-yl)pentan-2-one
CID 107135367
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
3-pentan-3-yloxane
CID 15620798
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
(2S)-2-fluoro-3-[(3S)-oxan-3-yl]propanoic acid
CID 129372190

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid (CID 63740599) is 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid is CCN(C=O)C(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is IQHOTEYTFGMFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-2-11(7-12)9(10(13)14)8-4-3-5-15-6-8/h7-9H,2-6H2,1H3,(H,13,14).
What are the key properties of 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid?
2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(formyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 63740599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).