(2R)-N-(4-acetamidophenyl)-2-aminopentanamide

C13H19N3O2 — CID 113263757

IUPAC(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-3-4-12(14)13(18)16-11-7-5-10(6-8-11)15-9(2)17/h5-8,12H,3-4,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyVCBSMORULRJNQP-GFCCVEGCSA-N
MW249.31 g/mol
LogP1.71
Rot. Bonds5

About (2R)-N-(4-acetamidophenyl)-2-aminopentanamide

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide (PubChem CID 113263757) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2R)-N-(4-acetamidophenyl)-2-aminopentanamide.

Molecular Properties

Compound Name(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
PubChem CID113263757
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
SMILESCCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-3-4-12(14)13(18)16-11-7-5-10(6-8-11)15-9(2)17/h5-8,12H,3-4,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyVCBSMORULRJNQP-GFCCVEGCSA-N
XLogP1.71
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2R)-2-amino-N-(4-bromophenyl)pentanamide
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4-(2-aminopentanoylamino)benzamide;hydrochloride
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(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
5-(4-acetamidoanilino)-4-amino-5-oxopentanoic acid
CID 64895797
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
2-amino-N-(4-tert-butylsulfanylphenyl)pentanamide;hydrochloride
CID 119315516
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-acetamidophenyl)-2-aminopentanamide?
The IUPAC name of (2R)-N-(4-acetamidophenyl)-2-aminopentanamide (CID 113263757) is (2R)-N-(4-acetamidophenyl)-2-aminopentanamide.
What is the SMILES notation for (2R)-N-(4-acetamidophenyl)-2-aminopentanamide?
The canonical SMILES for (2R)-N-(4-acetamidophenyl)-2-aminopentanamide is CCC[C@@H](N)C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of (2R)-N-(4-acetamidophenyl)-2-aminopentanamide?
The InChIKey is VCBSMORULRJNQP-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-4-12(14)13(18)16-11-7-5-10(6-8-11)15-9(2)17/h5-8,12H,3-4,14H2,1-2H3,(H,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(4-acetamidophenyl)-2-aminopentanamide?
(2R)-N-(4-acetamidophenyl)-2-aminopentanamide has a molecular weight of 249.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-acetamidophenyl)-2-aminopentanamide is sourced from PubChem (CID 113263757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).