(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide

C7H14N2O3 — CID 59072537

IUPAC(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide
SMILESCOCN[C@@H]1COC[C@@H]1C(N)=O
InChIInChI=1S/C7H14N2O3/c1-11-4-9-6-3-12-2-5(6)7(8)10/h5-6,9H,2-4H2,1H3,(H2,8,10)/t5-,6+/m0/s1
InChIKeyOEUFGLZYCDDARC-NTSWFWBYSA-N
MW174.20 g/mol
LogP-1.32
Rot. Bonds4

About (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide

(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide (PubChem CID 59072537) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide
PubChem CID59072537
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide
SMILESCOCN[C@@H]1COC[C@@H]1C(N)=O
InChIInChI=1S/C7H14N2O3/c1-11-4-9-6-3-12-2-5(6)7(8)10/h5-6,9H,2-4H2,1H3,(H2,8,10)/t5-,6+/m0/s1
InChIKeyOEUFGLZYCDDARC-NTSWFWBYSA-N
XLogP-1.32
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide?
The IUPAC name of (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide (CID 59072537) is (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide is COCN[C@@H]1COC[C@@H]1C(N)=O.
What is the InChIKey of (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide?
The InChIKey is OEUFGLZYCDDARC-NTSWFWBYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-11-4-9-6-3-12-2-5(6)7(8)10/h5-6,9H,2-4H2,1H3,(H2,8,10)/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide?
(3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide has a molecular weight of 174.20 g/mol, XLogP of -1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(methoxymethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 59072537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).