3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide

C13H19N3O2 — CID 54995638

IUPAC3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8(2)15-13(18)10-5-4-6-11(7-10)16-12(17)9(3)14/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyOSSVWMGZNORHPI-SECBINFHSA-N
MW249.31 g/mol
LogP1.11
Rot. Bonds4

About 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide

3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide (PubChem CID 54995638) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
PubChem CID54995638
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)[C@@H](C)N)c1
InChIInChI=1S/C13H19N3O2/c1-8(2)15-13(18)10-5-4-6-11(7-10)16-12(17)9(3)14/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1
InChIKeyOSSVWMGZNORHPI-SECBINFHSA-N
XLogP1.11
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-aminopropanoylamino)benzamide
CID 61258270
3-[[(2S)-2-aminopropanoyl]amino]-N-cyclopropylbenzamide
CID 78969031
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-(3-acetamidophenyl)-2-aminopropanamide
CID 24711020
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
N-methoxy-3-(propan-2-ylcarbamoylamino)benzamide
CID 38039799
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
CID 81075273
3-[2-(2,4-dichlorophenoxy)propanoylamino]-N-propan-2-ylbenzamide
CID 17197387
methyl 2-[3-(propan-2-ylcarbamoyl)anilino]propanoate
CID 66173914
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide (CID 54995638) is 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)[C@@H](C)N)c1.
What is the InChIKey of 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide?
The InChIKey is OSSVWMGZNORHPI-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8(2)15-13(18)10-5-4-6-11(7-10)16-12(17)9(3)14/h4-9H,14H2,1-3H3,(H,15,18)(H,16,17)/t9-/m1/s1.
What are the key properties of 3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide?
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide has a molecular weight of 249.31 g/mol, XLogP of 1.11, 4 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-propan-2-ylbenzamide is sourced from PubChem (CID 54995638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).