4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide

C11H15N3O2 — CID 78972443

IUPAC4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1
InChIInChI=1S/C11H15N3O2/c1-7(12)10(15)14-9-5-3-8(4-6-9)11(16)13-2/h3-7H,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyGCQOSIRTXYWIBO-SSDOTTSWSA-N
MW221.26 g/mol
LogP0.33
Rot. Bonds3

About 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide

4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide (PubChem CID 78972443) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
PubChem CID78972443
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide
SMILESCNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1
InChIInChI=1S/C11H15N3O2/c1-7(12)10(15)14-9-5-3-8(4-6-9)11(16)13-2/h3-7H,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1
InChIKeyGCQOSIRTXYWIBO-SSDOTTSWSA-N
XLogP0.33
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120
4-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-methylbenzamide
CID 79011407
4-(2-aminopropanoylamino)-N-ethylbenzamide
CID 43712262
4-[[(2R)-2-aminopropanoyl]amino]-N-propylbenzamide;hydrochloride
CID 119297917
N-(4-acetamidophenyl)-2-aminopropanamide;hydrochloride
CID 119261426
(2R)-2-amino-N-(4-hydroxyphenyl)propanamide
CID 78972563
N-methyl-4-(2-methylpentanoylamino)benzamide
CID 75981619
4-[(2-amino-4-methoxybutanoyl)amino]-N-methylbenzamide
CID 55080716
(2R)-2-amino-N-(4-chlorophenyl)propanamide
CID 7183165
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
(2R)-2-amino-N-phenylpropanamide
CID 10607114
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide (CID 78972443) is 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide is CNC(=O)c1ccc(NC(=O)[C@@H](C)N)cc1.
What is the InChIKey of 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide?
The InChIKey is GCQOSIRTXYWIBO-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-7(12)10(15)14-9-5-3-8(4-6-9)11(16)13-2/h3-7H,12H2,1-2H3,(H,13,16)(H,14,15)/t7-/m1/s1.
What are the key properties of 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide?
4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide has a molecular weight of 221.26 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-aminopropanoyl]amino]-N-methylbenzamide is sourced from PubChem (CID 78972443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).