(2S)-2-acetamido-3-hydroxy-N-methylbutanamide

C7H14N2O3 — CID 130699535

IUPAC(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@@H](NC(C)=O)C(C)O
InChIInChI=1S/C7H14N2O3/c1-4(10)6(7(12)8-3)9-5(2)11/h4,6,10H,1-3H3,(H,8,12)(H,9,11)/t4?,6-/m0/s1
InChIKeyRMHVNEMFKIWSIN-RZKHNPSRSA-N
MW174.20 g/mol
LogP-1.38
Rot. Bonds3

About (2S)-2-acetamido-3-hydroxy-N-methylbutanamide

(2S)-2-acetamido-3-hydroxy-N-methylbutanamide (PubChem CID 130699535) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2S)-2-acetamido-3-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
PubChem CID130699535
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2S)-2-acetamido-3-hydroxy-N-methylbutanamide
SMILESCNC(=O)[C@@H](NC(C)=O)C(C)O
InChIInChI=1S/C7H14N2O3/c1-4(10)6(7(12)8-3)9-5(2)11/h4,6,10H,1-3H3,(H,8,12)(H,9,11)/t4?,6-/m0/s1
InChIKeyRMHVNEMFKIWSIN-RZKHNPSRSA-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

(3S)-3-acetamido-2-hydroxy-4-(methylamino)-4-oxobutanoic acid
CID 144619182
(2R,3S)-2-acetamido-3-hydroxybutanoic acid
CID 11062687
methyl (2R,3R)-2-acetamido-3-hydroxybutanoate
CID 92981459
N-(1-hydroxyethyl)acetamide;2-hydroxy-N-methylpropanamide
CID 162255629
[(2R,3S)-3-acetamido-4-(methylamino)-4-oxobutan-2-yl] dihydrogen phosphate
CID 102038450
(2S)-2-acetamido-N-[(2S)-1-[[(2S)-1-[[(2S)-1-(methylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 71361060
2,3-dihydroxy-N,N'-dimethylbutanediamide
CID 5168238
2-acetamido-3-hydroxybutanoic acid;2-aminoacetic acid
CID 138543857
(2R,3R)-2,3-dihydroxy-N-methyl-N'-propan-2-ylbutanediamide
CID 89095447
4-hydroxy-3-(methylamino)pentan-2-one
CID 22981507
2-acetamido-4-imino-3-methoxy-N-methylpentanamide
CID 123168761
(2S)-2-[[(2S,3S)-2-acetamido-3-hydroxybutanoyl]amino]-6-aminohexanamide
CID 138591531

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-3-hydroxy-N-methylbutanamide?
The IUPAC name of (2S)-2-acetamido-3-hydroxy-N-methylbutanamide (CID 130699535) is (2S)-2-acetamido-3-hydroxy-N-methylbutanamide.
What is the SMILES notation for (2S)-2-acetamido-3-hydroxy-N-methylbutanamide?
The canonical SMILES for (2S)-2-acetamido-3-hydroxy-N-methylbutanamide is CNC(=O)[C@@H](NC(C)=O)C(C)O.
What is the InChIKey of (2S)-2-acetamido-3-hydroxy-N-methylbutanamide?
The InChIKey is RMHVNEMFKIWSIN-RZKHNPSRSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(10)6(7(12)8-3)9-5(2)11/h4,6,10H,1-3H3,(H,8,12)(H,9,11)/t4?,6-/m0/s1.
What are the key properties of (2S)-2-acetamido-3-hydroxy-N-methylbutanamide?
(2S)-2-acetamido-3-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 (2S)-2-acetamido-3-hydroxy-N-methylbutanamide is sourced from PubChem (CID 130699535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).