2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid

C12H21NO5 — CID 120549024

IUPAC2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
SMILESCCOC(C)C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C12H21NO5/c1-3-18-8(2)11(14)13-10(12(15)16)9-5-4-6-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAVBPNFWGSGZHRR-UHFFFAOYSA-N
MW259.30 g/mol
LogP0.41
Rot. Bonds6

About 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid

2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid (PubChem CID 120549024) has the molecular formula C12H21NO5 and a molecular weight of 259.30 g/mol. Its IUPAC name is 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
PubChem CID120549024
Molecular FormulaC12H21NO5
Molecular Weight259.30 g/mol
Exact Mass259.14
IUPAC Name2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
SMILESCCOC(C)C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C12H21NO5/c1-3-18-8(2)11(14)13-10(12(15)16)9-5-4-6-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyAVBPNFWGSGZHRR-UHFFFAOYSA-N
XLogP0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120606679
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120549000
2-[2-(3,4-difluorophenoxy)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120548357
ethyl (2S)-2-amino-2-[(3R)-oxan-3-yl]acetate
CID 96668920
ethyl (2R)-2-amino-2-[(3S)-oxan-3-yl]acetate
CID 96668917
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
2-(3-butylsulfanylpropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547768
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
(2S)-2-(methoxymethylamino)-2-[(3R)-oxan-3-yl]acetic acid
CID 126599456
ethyl 2-(ethylamino)-2-(oxan-3-yl)acetate
CID 63740064

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid (CID 120549024) is 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid is CCOC(C)C(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid?
The InChIKey is AVBPNFWGSGZHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO5/c1-3-18-8(2)11(14)13-10(12(15)16)9-5-4-6-17-7-9/h8-10H,3-7H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid?
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid has a molecular weight of 259.30 g/mol, XLogP of 0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120549024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).