N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide

C10H12N2O2 — CID 174758628

IUPACN-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
SMILESC[C@@](N)(C=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-10(11,7-13)12-9(14)8-5-3-2-4-6-8/h2-7H,11H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyCPQAUAVVFJPTCR-JTQLQIEISA-N
MW192.22 g/mol
LogP0.29
Rot. Bonds3

About N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide

N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide (PubChem CID 174758628) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide.

Molecular Properties

Compound NameN-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
PubChem CID174758628
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC NameN-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
SMILESC[C@@](N)(C=O)NC(=O)c1ccccc1
InChIInChI=1S/C10H12N2O2/c1-10(11,7-13)12-9(14)8-5-3-2-4-6-8/h2-7H,11H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyCPQAUAVVFJPTCR-JTQLQIEISA-N
XLogP0.29
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
3-benzamido-2,2,3-trimethylbutanoic acid
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N-(4,4-dichloro-2-methylbut-3-en-2-yl)benzamide
CID 88654986
N-(1-bromo-2-methylpropan-2-yl)benzamide
CID 114308136
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
2-benzamido-2,2-diiodoacetyl iodide
CID 168873190
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
N-(3,3-dimethyl-4-oxobutan-2-yl)benzamide
CID 59051843
methyl 2-benzamido-2-sulfanylpropanoate
CID 53440930
(1-benzamido-1-carboxyethyl)-triphenylphosphanium
CID 24827846

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide?
The IUPAC name of N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide (CID 174758628) is N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide.
What is the SMILES notation for N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide?
The canonical SMILES for N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide is C[C@@](N)(C=O)NC(=O)c1ccccc1.
What is the InChIKey of N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide?
The InChIKey is CPQAUAVVFJPTCR-JTQLQIEISA-N. The full InChI is InChI=1S/C10H12N2O2/c1-10(11,7-13)12-9(14)8-5-3-2-4-6-8/h2-7H,11H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide?
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide has a molecular weight of 192.22 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide is sourced from PubChem (CID 174758628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).