2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid

C10H19NO4 — CID 63073024

IUPAC2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
SMILESCCOC(CN1CCCOCC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-15-9(10(12)13)8-11-4-3-6-14-7-5-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRYLRANNXCBSDFT-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.20
Rot. Bonds5

About 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid

2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid (PubChem CID 63073024) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid.

Molecular Properties

Compound Name2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
PubChem CID63073024
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid
SMILESCCOC(CN1CCCOCC1)C(=O)O
InChIInChI=1S/C10H19NO4/c1-2-15-9(10(12)13)8-11-4-3-6-14-7-5-11/h9H,2-8H2,1H3,(H,12,13)
InChIKeyRYLRANNXCBSDFT-UHFFFAOYSA-N
XLogP0.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 63070059
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
ethyl 2-amino-4-(1,4-oxazepan-4-yl)butanoate
CID 63054023
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
6-(1,4-oxazepan-4-yl)hexan-3-one
CID 106801426
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
(2S)-2,4-dimethyl-1-morpholin-4-ylhexan-3-one
CID 165399162
4-(1,4-oxazepan-4-yl)-2-(propylamino)butanoic acid
CID 55142794
ethyl (E)-4-(1,4-oxazepan-4-yl)but-2-enoate
CID 80549639
1-cyclopentyl-2-(1,4-oxazepan-4-yl)ethanol
CID 104752821
2-ethoxycarbonyl-4-morpholin-4-ylbutanoic acid
CID 103973536

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid?
The IUPAC name of 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid (CID 63073024) is 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid.
What is the SMILES notation for 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid?
The canonical SMILES for 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid is CCOC(CN1CCCOCC1)C(=O)O.
What is the InChIKey of 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid?
The InChIKey is RYLRANNXCBSDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-9(10(12)13)8-11-4-3-6-14-7-5-11/h9H,2-8H2,1H3,(H,12,13).
What are the key properties of 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid?
2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3-(1,4-oxazepan-4-yl)propanoic acid is sourced from PubChem (CID 63073024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).