(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide

C13H19N3O2 — CID 107568624

IUPAC(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-2-3-11(14)13(18)16-10-6-4-9(5-7-10)8-12(15)17/h4-7,11H,2-3,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyWPXKDNXAPXMHOF-NSHDSACASA-N
MW249.31 g/mol
LogP0.78
Rot. Bonds6

About (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide

(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide (PubChem CID 107568624) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
PubChem CID107568624
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(CC(N)=O)cc1
InChIInChI=1S/C13H19N3O2/c1-2-3-11(14)13(18)16-10-6-4-9(5-7-10)8-12(15)17/h4-7,11H,2-3,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1
InChIKeyWPXKDNXAPXMHOF-NSHDSACASA-N
XLogP0.78
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
CID 107568598
3-[4-[[(2S)-2-aminopentanoyl]amino]phenyl]propanoic acid
CID 107570295
3-amino-N-[4-(2-amino-2-oxoethyl)phenyl]-2-methylpropanamide
CID 62671203
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-N-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]pentanamide
CID 119310610
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide (CID 107568624) is (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(CC(N)=O)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide?
The InChIKey is WPXKDNXAPXMHOF-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-3-11(14)13(18)16-10-6-4-9(5-7-10)8-12(15)17/h4-7,11H,2-3,8,14H2,1H3,(H2,15,17)(H,16,18)/t11-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide?
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide has a molecular weight of 249.31 g/mol, XLogP of 0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide is sourced from PubChem (CID 107568624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).