3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide

C12H17N3O2 — CID 54996136

IUPAC3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H](C)N)c1C
InChIInChI=1S/C12H17N3O2/c1-7-9(12(17)14-3)5-4-6-10(7)15-11(16)8(2)13/h4-6,8H,13H2,1-3H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyHQJSHWKYPHMTNG-MRVPVSSYSA-N
MW235.29 g/mol
LogP0.64
Rot. Bonds3

About 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide

3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide (PubChem CID 54996136) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
PubChem CID54996136
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
SMILESCNC(=O)c1cccc(NC(=O)[C@@H](C)N)c1C
InChIInChI=1S/C12H17N3O2/c1-7-9(12(17)14-3)5-4-6-10(7)15-11(16)8(2)13/h4-6,8H,13H2,1-3H3,(H,14,17)(H,15,16)/t8-/m1/s1
InChIKeyHQJSHWKYPHMTNG-MRVPVSSYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
3-[(3-chloro-2-methylpropanoyl)amino]-N,2-dimethylbenzamide
CID 55110621
3-(2-aminohexanoylamino)-N,2-dimethylbenzamide
CID 60854743
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
3-(4-hydroxypentanoylamino)-N,2-dimethylbenzamide
CID 79204866
2-hydroxyethyl N-[2-methyl-3-(methylcarbamoyl)phenyl]carbamate
CID 79346622
3-[[(2S)-1-[[(2S)-butan-2-yl]amino]-1-oxopropan-2-yl]carbamoylamino]-N,2-dimethylbenzamide
CID 95239461
3-(2-bromopropanoylamino)-N-carbamoyl-2-methylbenzamide
CID 24878987
3-[2-(benzimidazol-1-yl)propanoylamino]-N,2-dimethylbenzamide
CID 46434262
N,2-dimethyl-3-[2-(thiophen-2-ylsulfonylamino)propanoylamino]benzamide
CID 48529738
3-(1-cyclopropylethylamino)-N,2-dimethylbenzamide
CID 43734592
N,2-dimethyl-3-(2-methylbutylamino)benzamide
CID 43734491

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide?
The IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide (CID 54996136) is 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide?
The canonical SMILES for 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide is CNC(=O)c1cccc(NC(=O)[C@@H](C)N)c1C.
What is the InChIKey of 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide?
The InChIKey is HQJSHWKYPHMTNG-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7-9(12(17)14-3)5-4-6-10(7)15-11(16)8(2)13/h4-6,8H,13H2,1-3H3,(H,14,17)(H,15,16)/t8-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide?
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide has a molecular weight of 235.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide is sourced from PubChem (CID 54996136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).