2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C14H23NO5 — CID 120548454

IUPAC2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCC1CC(C(=O)NC(C(=O)O)C2CCCOC2)CCO1
InChIInChI=1S/C14H23NO5/c1-9-7-10(4-6-20-9)13(16)15-12(14(17)18)11-3-2-5-19-8-11/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyMPBXJXGKBPSKKX-UHFFFAOYSA-N
MW285.34 g/mol
LogP0.80
Rot. Bonds4

About 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120548454) has the molecular formula C14H23NO5 and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120548454
Molecular FormulaC14H23NO5
Molecular Weight285.34 g/mol
Exact Mass285.16
IUPAC Name2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCC1CC(C(=O)NC(C(=O)O)C2CCCOC2)CCO1
InChIInChI=1S/C14H23NO5/c1-9-7-10(4-6-20-9)13(16)15-12(14(17)18)11-3-2-5-19-8-11/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18)
InChIKeyMPBXJXGKBPSKKX-UHFFFAOYSA-N
XLogP0.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methyloxane-4-carbonyl)amino]-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-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
4-methyl-2-[(2-methyloxane-4-carbonyl)amino]pentanoic acid
CID 120516078
(2S)-2-[[(1S,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-[(3S)-oxan-3-yl]acetic acid
CID 129469510
2-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547875
(2S)-2-(methoxycarbonylamino)-2-[(2S,4R)-2-methyloxan-4-yl]acetic acid
CID 66981887
2-[2-(2,2-dimethylpropanoylamino)propanoylamino]-2-(oxan-3-yl)acetic acid
CID 120549000
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120548454) is 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid is CC1CC(C(=O)NC(C(=O)O)C2CCCOC2)CCO1.
What is the InChIKey of 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is MPBXJXGKBPSKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5/c1-9-7-10(4-6-20-9)13(16)15-12(14(17)18)11-3-2-5-19-8-11/h9-12H,2-8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 285.34 g/mol, XLogP of 0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxane-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120548454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).