2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide

C8H18N2O4 — CID 87514308

IUPAC2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide
SMILESCNC(=O)C(N)C(O)(COC)COC
InChIInChI=1S/C8H18N2O4/c1-10-7(11)6(9)8(12,4-13-2)5-14-3/h6,12H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOJOVCQCSNAFKKN-UHFFFAOYSA-N
MW206.24 g/mol
LogP-1.92
Rot. Bonds6

About 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide

2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide (PubChem CID 87514308) has the molecular formula C8H18N2O4 and a molecular weight of 206.24 g/mol. Its IUPAC name is 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide
PubChem CID87514308
Molecular FormulaC8H18N2O4
Molecular Weight206.24 g/mol
Exact Mass206.13
IUPAC Name2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide
SMILESCNC(=O)C(N)C(O)(COC)COC
InChIInChI=1S/C8H18N2O4/c1-10-7(11)6(9)8(12,4-13-2)5-14-3/h6,12H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyOJOVCQCSNAFKKN-UHFFFAOYSA-N
XLogP-1.92
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N,3,3-trimethylbutanamide;hydrochloride
CID 22129480
(2S)-2-amino-N-(1-methoxy-2-methylpropan-2-yl)-3,3-dimethylbutanamide
CID 104862136
4-amino-1-methoxy-2-(methoxymethyl)-3-methylbutan-2-ol
CID 165443184
2,3-dimethoxy-N-methylpropanamide
CID 55288106
(2R)-2-amino-N-methylbutanamide
CID 14888796
ethyl 3-hydroxy-3-(methoxymethyl)-2-propylpentanoate
CID 83042580
2-methoxyethyl N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamate
CID 145466025
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
(2R)-2-amino-3-[[(2R)-2-amino-3-(methylamino)-3-oxopropyl]disulfanyl]-N-methylpropanamide
CID 142641958
methyl (2R)-2,3-bis(methylamino)-3-oxopropanoate
CID 86679247
methyl (2R)-2-amino-3-methoxy-2-methylpropanoate
CID 45086680
(2R)-2-amino-N-(3-methoxypropyl)-3,3-dimethylbutanamide
CID 82671375

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide?
The IUPAC name of 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide (CID 87514308) is 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide.
What is the SMILES notation for 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide?
The canonical SMILES for 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide is CNC(=O)C(N)C(O)(COC)COC.
What is the InChIKey of 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide?
The InChIKey is OJOVCQCSNAFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O4/c1-10-7(11)6(9)8(12,4-13-2)5-14-3/h6,12H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide?
2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide has a molecular weight of 206.24 g/mol, XLogP of -1.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-hydroxy-4-methoxy-3-(methoxymethyl)-N-methylbutanamide is sourced from PubChem (CID 87514308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).