2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid

C10H17NO5 — CID 119349069

IUPAC2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COC1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-7(10(13)14)11-9(12)6-16-8-2-4-15-5-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYAFHOCCVPXBYSY-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.23
Rot. Bonds5

About 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid

2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid (PubChem CID 119349069) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
PubChem CID119349069
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid
SMILESCC(NC(=O)COC1CCOCC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-7(10(13)14)11-9(12)6-16-8-2-4-15-5-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyYAFHOCCVPXBYSY-UHFFFAOYSA-N
XLogP-0.23
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119348600
(2S)-2-[3-(oxan-4-yloxy)propanoylamino]propanoic acid
CID 119943226
3-methyl-1-(oxan-4-yloxy)butan-2-one
CID 79396131
(2S)-2-[[2-[(1R,2R)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124689400
(2R)-2-[[2-[(1R,2S)-2-methylcyclohexyl]oxyacetyl]amino]propanoic acid
CID 124693399
(2S)-2-[[(3R)-oxolan-3-yl]oxycarbonylamino]propanoic acid
CID 90999920
2-[[2-(oxan-4-yloxy)acetyl]-propan-2-ylamino]acetic acid
CID 120580773
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
2-(oxan-4-yloxy)-N-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)acetamide
CID 167937464
2-[(2-cyclopentyloxyacetyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547465
2-(methylamino)-4-(oxan-4-yloxy)butanoic acid
CID 63040373
N-butan-2-yl-2-(1,4-dioxaspiro[4.5]decan-8-yloxy)acetamide
CID 113414158

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid (CID 119349069) is 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid is CC(NC(=O)COC1CCOCC1)C(=O)O.
What is the InChIKey of 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid?
The InChIKey is YAFHOCCVPXBYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-7(10(13)14)11-9(12)6-16-8-2-4-15-5-3-8/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid?
2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(oxan-4-yloxy)acetyl]amino]propanoic acid is sourced from PubChem (CID 119349069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).