(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide

C15H19N3O — CID 107570250

IUPAC(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-2-5-13(16)15(19)18-10-12-7-3-6-11-8-4-9-17-14(11)12/h3-4,6-9,13H,2,5,10,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJDEWXYMPVPDSDY-ZDUSSCGKSA-N
MW257.34 g/mol
LogP1.98
Rot. Bonds5

About (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide

(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide (PubChem CID 107570250) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
PubChem CID107570250
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide
SMILESCCC[C@H](N)C(=O)NCc1cccc2cccnc12
InChIInChI=1S/C15H19N3O/c1-2-5-13(16)15(19)18-10-12-7-3-6-11-8-4-9-17-14(11)12/h3-4,6-9,13H,2,5,10,16H2,1H3,(H,18,19)/t13-/m0/s1
InChIKeyJDEWXYMPVPDSDY-ZDUSSCGKSA-N
XLogP1.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(quinolin-8-ylmethyl)pentanamide
CID 81428409
2-amino-N-(quinolin-8-ylmethyl)propanamide
CID 81427001
2-amino-3-methoxy-N-(quinolin-8-ylmethyl)propanamide
CID 81428067
(2R)-2-amino-N-quinolin-8-ylpentanamide
CID 103813268
2-bromo-3-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81428744
2-amino-2-methyl-N-(quinolin-8-ylmethyl)butanamide
CID 81426473
2-amino-N-[(2-ethylphenyl)methyl]pentanamide;hydrochloride
CID 119331955
1-butan-2-yl-3-(quinolin-8-ylmethyl)urea
CID 47470602
2-hydrazinyl-2-oxo-N-(quinolin-8-ylmethyl)acetamide
CID 69377520
2-(methylamino)-N-(quinolin-8-ylmethyl)acetamide
CID 81427166
N-ethyl-2-(quinolin-8-ylmethylamino)propanamide
CID 43403033
N-(quinolin-8-ylmethyl)-2-sulfanylacetamide
CID 81423056

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide (CID 107570250) is (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide is CCC[C@H](N)C(=O)NCc1cccc2cccnc12.
What is the InChIKey of (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide?
The InChIKey is JDEWXYMPVPDSDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-5-13(16)15(19)18-10-12-7-3-6-11-8-4-9-17-14(11)12/h3-4,6-9,13H,2,5,10,16H2,1H3,(H,18,19)/t13-/m0/s1.
What are the key properties of (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide?
(2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide has a molecular weight of 257.34 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(quinolin-8-ylmethyl)pentanamide is sourced from PubChem (CID 107570250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).