2-methoxy-3-(oxane-3-carbonylamino)propanoic acid

C10H17NO5 — CID 106107266

IUPAC2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-15-8(10(13)14)5-11-9(12)7-3-2-4-16-6-7/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyVDYOYBQRYGPTHU-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.37
Rot. Bonds5

About 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid

2-methoxy-3-(oxane-3-carbonylamino)propanoic acid (PubChem CID 106107266) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
PubChem CID106107266
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-methoxy-3-(oxane-3-carbonylamino)propanoic acid
SMILESCOC(CNC(=O)C1CCCOC1)C(=O)O
InChIInChI=1S/C10H17NO5/c1-15-8(10(13)14)5-11-9(12)7-3-2-4-16-6-7/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyVDYOYBQRYGPTHU-UHFFFAOYSA-N
XLogP-0.37
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 ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
3-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carbonylamino)-2-methoxypropanoic acid
CID 106107724
2-methoxy-1-(oxan-3-yl)butan-1-one
CID 107136005
3-[(1-acetylpiperidine-4-carbonyl)amino]-2-methoxypropanoic acid
CID 114144299
3-(oxane-3-carbonylamino)butanoic acid
CID 62759193
3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62758810
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763
2-[2-(oxane-3-carbonylamino)ethoxy]acetic acid
CID 79457821
N-(3-amino-3-hydroxyimino-2-methylpropyl)oxane-3-carboxamide
CID 76982084
2-methoxy-3-(thiolane-2-carbonylamino)propanoic acid
CID 106107998
(3R)-N-[(2S)-2-(5-methylfuran-2-yl)-2-[[(3R)-oxane-3-carbonyl]amino]ethyl]oxane-3-carboxamide
CID 97246443
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid (CID 106107266) is 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid is COC(CNC(=O)C1CCCOC1)C(=O)O.
What is the InChIKey of 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid?
The InChIKey is VDYOYBQRYGPTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-15-8(10(13)14)5-11-9(12)7-3-2-4-16-6-7/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid?
2-methoxy-3-(oxane-3-carbonylamino)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(oxane-3-carbonylamino)propanoic acid is sourced from PubChem (CID 106107266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).