2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide

C9H20N2O3 — CID 79811130

IUPAC2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)COC
InChIInChI=1S/C9H20N2O3/c1-4-9(2,10)8(13)11-5-7(12)6-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyOWYZDNATVGELQT-UHFFFAOYSA-N
MW204.27 g/mol
LogP-0.76
Rot. Bonds6

About 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide

2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide (PubChem CID 79811130) has the molecular formula C9H20N2O3 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
PubChem CID79811130
Molecular FormulaC9H20N2O3
Molecular Weight204.27 g/mol
Exact Mass204.15
IUPAC Name2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide
SMILESCCC(C)(N)C(=O)NCC(O)COC
InChIInChI=1S/C9H20N2O3/c1-4-9(2,10)8(13)11-5-7(12)6-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13)
InChIKeyOWYZDNATVGELQT-UHFFFAOYSA-N
XLogP-0.76
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(2-hydroxy-3-methoxypropyl)-2,2-dimethylpropanamide
CID 115426751
2-amino-N-(2-hydroxy-4,4-dimethylpentyl)-2-methylbutanamide
CID 107152773
(2S)-2-amino-N-(2-hydroxy-3-methoxypropyl)pentanamide
CID 107569812
2-amino-N-[2-(dimethylamino)-3-methylbutyl]-2-methylbutanamide
CID 79805016
2-(4-aminophenyl)-N-(2-hydroxy-3-methoxypropyl)-2-methylpropanamide
CID 80556294
2-amino-N-(2-hydroxy-3-methoxypropyl)-N,2-dimethylbutanamide
CID 79810651
N-(2-hydroxy-3-methoxypropyl)butanamide
CID 20700886
2-amino-N-(4-methoxybutan-2-yl)-2-methylbutanamide
CID 79811923
2-amino-N-(2-cyanopropyl)-2-methylbutanamide
CID 79811894
2-[[(2-amino-2-methylbutanoyl)amino]methyl]-4,4-dimethylpentanoic acid
CID 107475584
2-amino-2-methyl-N-(2-methyl-3-methylsulfanylpropyl)butanamide
CID 79811579
2-amino-N-(4-hydroxy-1-methoxybutan-2-yl)-2-methylbutanamide
CID 106160983

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide?
The IUPAC name of 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide (CID 79811130) is 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide.
What is the SMILES notation for 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide?
The canonical SMILES for 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide is CCC(C)(N)C(=O)NCC(O)COC.
What is the InChIKey of 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide?
The InChIKey is OWYZDNATVGELQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O3/c1-4-9(2,10)8(13)11-5-7(12)6-14-3/h7,12H,4-6,10H2,1-3H3,(H,11,13).
What are the key properties of 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide?
2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide has a molecular weight of 204.27 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-hydroxy-3-methoxypropyl)-2-methylbutanamide is sourced from PubChem (CID 79811130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).