4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide

C10H22N2O3 — CID 103156180

IUPAC4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H22N2O3/c1-7(2)9(6-13)12-10(14)4-8(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m1/s1
InChIKeyZYIKODRDYNTKEO-YGPZHTELSA-N
MW218.30 g/mol
LogP-0.52
Rot. Bonds7

About 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide

4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide (PubChem CID 103156180) has the molecular formula C10H22N2O3 and a molecular weight of 218.30 g/mol. Its IUPAC name is 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
PubChem CID103156180
Molecular FormulaC10H22N2O3
Molecular Weight218.30 g/mol
Exact Mass218.16
IUPAC Name4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)N[C@H](CO)C(C)C
InChIInChI=1S/C10H22N2O3/c1-7(2)9(6-13)12-10(14)4-8(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m1/s1
InChIKeyZYIKODRDYNTKEO-YGPZHTELSA-N
XLogP-0.52
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-N-(3-methylbutan-2-yl)butanamide
CID 103154290
3-amino-N-(1-hydroxy-3-methylbutan-2-yl)butanamide
CID 79249380
(2S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155444
2-[(4-amino-3-methoxybutanoyl)amino]-3-hydroxypropanoic acid
CID 103155386
N-(1-hydroxy-3-methylbutan-2-yl)-3-methylbutanamide
CID 74554703
N-(1-hydroxy-3-methylbutan-2-yl)-3-methoxypropanamide
CID 79252546
4-amino-N-(3-ethylpentan-2-yl)-3-methoxybutanamide
CID 103155921
methyl (2S,3S)-2-[(4-amino-3-methoxybutanoyl)amino]-3-methylpentanoate
CID 120590169
(2R)-2-[(4-amino-3-methoxybutanoyl)amino]-3,3-dimethylbutanoic acid
CID 103156564
4-amino-3-methoxy-N-pent-4-en-2-ylbutanamide
CID 103156652
4-amino-3-methoxy-N-(2,2,6-trimethylheptan-3-yl)butanamide;hydrochloride
CID 120592370
2-(2-aminoethoxy)-N-(1-hydroxy-3-methylbutan-2-yl)acetamide
CID 79479783

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide (CID 103156180) is 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide is COC(CN)CC(=O)N[C@H](CO)C(C)C.
What is the InChIKey of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide?
The InChIKey is ZYIKODRDYNTKEO-YGPZHTELSA-N. The full InChI is InChI=1S/C10H22N2O3/c1-7(2)9(6-13)12-10(14)4-8(5-11)15-3/h7-9,13H,4-6,11H2,1-3H3,(H,12,14)/t8?,9-/m1/s1.
What are the key properties of 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide?
4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide has a molecular weight of 218.30 g/mol, XLogP of -0.52, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-3-methoxybutanamide is sourced from PubChem (CID 103156180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).