(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide

C9H20N2O3 — CID 153463762

IUPAC(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCONC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-6(14-9(2,3)4)7(10)8(12)11-13-5/h6-7H,10H2,1-5H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyRFHXJPHFDGNIME-RQJHMYQMSA-N
MW204.27 g/mol
LogP0.19
Rot. Bonds4

About (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide

(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide (PubChem CID 153463762) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide.

Molecular Properties

Compound Name(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
PubChem CID153463762
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide
SMILESCONC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C
InChIInChI=1S/C9H20N2O3/c1-6(14-9(2,3)4)7(10)8(12)11-13-5/h6-7H,10H2,1-5H3,(H,11,12)/t6-,7+/m1/s1
InChIKeyRFHXJPHFDGNIME-RQJHMYQMSA-N
XLogP0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2R,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate;hydrochloride
CID 53393715
(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]-N-(2,2,2-trifluoroethoxy)butanamide
CID 114274918
(2S,3R)-N-(2-acetamidoethyl)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 114274672
(2S,3R)-2-amino-N-butyl-3-[(2-methylpropan-2-yl)oxy]butanamide
CID 71360530
tert-butyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 91539834
prop-2-enyl (2R,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630010
prop-2-enyl (2S,3S)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 124630009
methyl (2S,3R)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 169042630
tert-butyl (2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoate
CID 175800773
methyl (2R)-2-(dimethylsilylamino)-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 173345702
dimethyl (2R,3R)-2,3-bis[(2-methylpropan-2-yl)oxy]butanedioate
CID 14143488
4-methyl-2,5-bis[(2-methylpropan-2-yl)oxy]hexan-3-one
CID 123694757

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide?
The IUPAC name of (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide (CID 153463762) is (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide.
What is the SMILES notation for (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide?
The canonical SMILES for (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide is CONC(=O)[C@@H](N)[C@@H](C)OC(C)(C)C.
What is the InChIKey of (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide?
The InChIKey is RFHXJPHFDGNIME-RQJHMYQMSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-6(14-9(2,3)4)7(10)8(12)11-13-5/h6-7H,10H2,1-5H3,(H,11,12)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide?
(2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide has a molecular weight of 204.27 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-N-methoxy-3-[(2-methylpropan-2-yl)oxy]butanamide is sourced from PubChem (CID 153463762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).