N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide

C7H16N2O2 — CID 107222412

IUPACN-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
SMILESCC[C@@H](CO)NC(=O)CNC
InChIInChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)4-8-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyZUMBNEHASNXAQN-LURJTMIESA-N
MW160.22 g/mol
LogP-0.91
Rot. Bonds5

About N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide

N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide (PubChem CID 107222412) has the molecular formula C7H16N2O2 and a molecular weight of 160.22 g/mol. Its IUPAC name is N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
PubChem CID107222412
Molecular FormulaC7H16N2O2
Molecular Weight160.22 g/mol
Exact Mass160.12
IUPAC NameN-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide
SMILESCC[C@@H](CO)NC(=O)CNC
InChIInChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)4-8-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1
InChIKeyZUMBNEHASNXAQN-LURJTMIESA-N
XLogP-0.91
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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ST040666
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N~2~-Acetyl-L-serinamide
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(2S)-2-amino-N-(2-hydroxyethyl)propanamide
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(2S)-2-[(2-aminoacetyl)amino]-3-hydroxypropanamide
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(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]propanamide
CID 54267103
2-amino-N-[(2S)-1-hydroxypropan-2-yl]acetamide
CID 93083458
2-[1-(hydroxymethyl)propylamino]-N-sec-butyl-acetamide
CID 469963

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide?
The IUPAC name of N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide (CID 107222412) is N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide?
The canonical SMILES for N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide is CC[C@@H](CO)NC(=O)CNC.
What is the InChIKey of N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide?
The InChIKey is ZUMBNEHASNXAQN-LURJTMIESA-N. The full InChI is InChI=1S/C7H16N2O2/c1-3-6(5-10)9-7(11)4-8-2/h6,8,10H,3-5H2,1-2H3,(H,9,11)/t6-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide?
N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide has a molecular weight of 160.22 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxybutan-2-yl]-2-(methylamino)acetamide is sourced from PubChem (CID 107222412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).