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

C14H21N3O2 — CID 107568598

IUPAC(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-5-12(15)14(19)17-11-8-6-10(7-9-11)16-13(18)4-2/h6-9,12H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyABNAHHVOFKQSOK-LBPRGKRZSA-N
MW263.34 g/mol
LogP2.10
Rot. Bonds6

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

(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide (PubChem CID 107568598) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
PubChem CID107568598
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide
SMILESCCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC)cc1
InChIInChI=1S/C14H21N3O2/c1-3-5-12(15)14(19)17-11-8-6-10(7-9-11)16-13(18)4-2/h6-9,12H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1
InChIKeyABNAHHVOFKQSOK-LBPRGKRZSA-N
XLogP2.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(4-acetamidophenyl)-2-aminopentanamide
CID 113263757
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107568581
(2S)-2-amino-4-methylsulfanyl-N-[4-(propanoylamino)phenyl]butanamide
CID 61179133
(2R)-2-amino-N-(4-bromophenyl)pentanamide
CID 103793741
(2R)-2-amino-N-(4-chlorophenyl)pentanamide
CID 93255469
2-amino-5-methoxy-N-[4-(propanoylamino)phenyl]pentanamide
CID 81086454
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
(2S)-2-amino-N-[4-(diethylamino)phenyl]pentanamide
CID 94728896
2-amino-3-methoxy-N-[4-(propanoylamino)phenyl]propanamide;hydrochloride
CID 120986274
2-amino-N-(4-butylphenyl)pentanamide
CID 43650280
(2R)-2-amino-N-(4-sulfamoylphenyl)pentanamide
CID 107568013
(2S)-2-amino-N-[4-(2-amino-2-oxoethyl)phenyl]pentanamide
CID 107568624

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide?
The IUPAC name of (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide (CID 107568598) is (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide.
What is the SMILES notation for (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide?
The canonical SMILES for (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide is CCC[C@H](N)C(=O)Nc1ccc(NC(=O)CC)cc1.
What is the InChIKey of (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide?
The InChIKey is ABNAHHVOFKQSOK-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-5-12(15)14(19)17-11-8-6-10(7-9-11)16-13(18)4-2/h6-9,12H,3-5,15H2,1-2H3,(H,16,18)(H,17,19)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide?
(2S)-2-amino-N-[4-(propanoylamino)phenyl]pentanamide has a molecular weight of 263.34 g/mol, XLogP of 2.10, 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-(propanoylamino)phenyl]pentanamide is sourced from PubChem (CID 107568598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).