(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide

C8H18N2O3 — CID 90299785

IUPAC(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NC(O)OC)C(C)C
InChIInChI=1S/C8H18N2O3/c1-5(2)6(7(11)9-3)10-8(12)13-4/h5-6,8,10,12H,1-4H3,(H,9,11)/t6-,8?/m0/s1
InChIKeyVQXYDZUDSWQEJO-UUEFVBAFSA-N
MW190.24 g/mol
LogP-0.73
Rot. Bonds5

About (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide

(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide (PubChem CID 90299785) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
PubChem CID90299785
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide
SMILESCNC(=O)[C@@H](NC(O)OC)C(C)C
InChIInChI=1S/C8H18N2O3/c1-5(2)6(7(11)9-3)10-8(12)13-4/h5-6,8,10,12H,1-4H3,(H,9,11)/t6-,8?/m0/s1
InChIKeyVQXYDZUDSWQEJO-UUEFVBAFSA-N
XLogP-0.73
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
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 (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide (CID 90299785) is (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide is CNC(=O)[C@@H](NC(O)OC)C(C)C.
What is the InChIKey of (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide?
The InChIKey is VQXYDZUDSWQEJO-UUEFVBAFSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-5(2)6(7(11)9-3)10-8(12)13-4/h5-6,8,10,12H,1-4H3,(H,9,11)/t6-,8?/m0/s1.
What are the key properties of (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide?
(2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide has a molecular weight of 190.24 g/mol, XLogP of -0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[hydroxy(methoxy)methyl]amino]-N,3-dimethylbutanamide is sourced from PubChem (CID 90299785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).