3-acetamido-2-hydroxy-N-methylbutanamide

C7H14N2O3 — CID 18728954

IUPAC3-acetamido-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)C(O)C(C)NC(C)=O
InChIInChI=1S/C7H14N2O3/c1-4(9-5(2)10)6(11)7(12)8-3/h4,6,11H,1-3H3,(H,8,12)(H,9,10)
InChIKeyWEQKWSXLICEGRD-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.38
Rot. Bonds3

About 3-acetamido-2-hydroxy-N-methylbutanamide

3-acetamido-2-hydroxy-N-methylbutanamide (PubChem CID 18728954) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-acetamido-2-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name3-acetamido-2-hydroxy-N-methylbutanamide
PubChem CID18728954
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name3-acetamido-2-hydroxy-N-methylbutanamide
SMILESCNC(=O)C(O)C(C)NC(C)=O
InChIInChI=1S/C7H14N2O3/c1-4(9-5(2)10)6(11)7(12)8-3/h4,6,11H,1-3H3,(H,8,12)(H,9,10)
InChIKeyWEQKWSXLICEGRD-UHFFFAOYSA-N
XLogP-1.38
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-3-hydroxypentan-2-yl]acetamide
CID 55301755
N-[(2S,3S)-3-hydroxypentan-2-yl]acetamide
CID 55301756
3-Amino-2-hydroxy-N-methylpropanamide
CID 76223602
Lactic acid, N-sec-butyl amide
CID 223421
3-amino-2-hydroxy-N-methylpropanamide hydrochloride
CID 86775517
2-Amino-4-[(2-hydroxy-1-oxopropyl)amino]butanoic acid
CID 131751168
N-[(2S)-1-hydroxypropan-2-yl]butanamide
CID 28345692
N-(3-amino-4-fluorobutyl)-2-hydroxypropanamide
CID 123480623
4-amino-3-fluoro-2-hydroxy-N-(3-hydroxybutan-2-yl)butanamide
CID 123716398
2-hydroxy-N-(2-methylpropyl)-3-(2,2,2-trifluoroethylamino)butanamide
CID 134349745
2-Hydroxy-n-(propan-2-yl)propanamide
CID 223417
N-butyl-2-hydroxypropanamide
CID 223420

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-2-hydroxy-N-methylbutanamide?
The IUPAC name of 3-acetamido-2-hydroxy-N-methylbutanamide (CID 18728954) is 3-acetamido-2-hydroxy-N-methylbutanamide.
What is the SMILES notation for 3-acetamido-2-hydroxy-N-methylbutanamide?
The canonical SMILES for 3-acetamido-2-hydroxy-N-methylbutanamide is CNC(=O)C(O)C(C)NC(C)=O.
What is the InChIKey of 3-acetamido-2-hydroxy-N-methylbutanamide?
The InChIKey is WEQKWSXLICEGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(9-5(2)10)6(11)7(12)8-3/h4,6,11H,1-3H3,(H,8,12)(H,9,10).
What are the key properties of 3-acetamido-2-hydroxy-N-methylbutanamide?
3-acetamido-2-hydroxy-N-methylbutanamide has a molecular weight of 174.20 g/mol, XLogP of -1.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-2-hydroxy-N-methylbutanamide is sourced from PubChem (CID 18728954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).