(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide

C11H16N2O — CID 22690572

IUPAC(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N)c1C
InChIInChI=1S/C11H16N2O/c1-7-5-4-6-10(8(7)2)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyVMDRWHBKASWDPY-VIFPVBQESA-N
MW192.26 g/mol
LogP1.59
Rot. Bonds2

About (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide

(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide (PubChem CID 22690572) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
PubChem CID22690572
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
SMILESCc1cccc(NC(=O)[C@H](C)N)c1C
InChIInChI=1S/C11H16N2O/c1-7-5-4-6-10(8(7)2)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)/t9-/m0/s1
InChIKeyVMDRWHBKASWDPY-VIFPVBQESA-N
XLogP1.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-methylphenyl)propanamide;hydrochloride
CID 56832187
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662
2-amino-N-(2,3-dimethylphenyl)-2-phenylacetamide
CID 24694954
(2S)-2-(2,3-dimethylphenoxy)-N-(2,3-dimethylphenyl)propanamide
CID 28574303
3-[[(2R)-2-aminopropanoyl]amino]-N,2-dimethylbenzamide
CID 54996136
methyl 3-[[(2R)-2-aminopropanoyl]amino]-2-methylbenzoate
CID 54996081
2-amino-N-(2-cyano-3-methylphenyl)propanamide
CID 107804990
S-[1-(2,3-dimethylanilino)-1-oxopropan-2-yl] carbamothioate
CID 23765487
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
N,N'-bis(2,3-dimethylphenyl)-2-phenylpropanediamide
CID 3393245
2-(3-aminophenyl)-N-(2,3-dimethylphenyl)propanamide
CID 106590698
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide (CID 22690572) is (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide is Cc1cccc(NC(=O)[C@H](C)N)c1C.
What is the InChIKey of (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is VMDRWHBKASWDPY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-7-5-4-6-10(8(7)2)13-11(14)9(3)12/h4-6,9H,12H2,1-3H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide?
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 192.26 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 22690572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).