(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid

C19H17N3O3 — CID 142645779

IUPAC(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid
SMILESO=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C19H17N3O3/c23-18(15-10-11-20-16-9-5-4-8-14(15)16)22-21-17(19(24)25)12-13-6-2-1-3-7-13/h1-11,17,21H,12H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyUDEJLZDRZGRWFC-KRWDZBQOSA-N
MW335.36 g/mol
LogP2.17
Rot. Bonds6

About (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid

(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid (PubChem CID 142645779) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid.

Molecular Properties

Compound Name(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid
PubChem CID142645779
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid
SMILESO=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccnc2ccccc12
InChIInChI=1S/C19H17N3O3/c23-18(15-10-11-20-16-9-5-4-8-14(15)16)22-21-17(19(24)25)12-13-6-2-1-3-7-13/h1-11,17,21H,12H2,(H,22,23)(H,24,25)/t17-/m0/s1
InChIKeyUDEJLZDRZGRWFC-KRWDZBQOSA-N
XLogP2.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[2-[(1S)-1-carboxy-2-phenylethyl]hydrazinyl]-3-phenylpropanoic acid
CID 11989622
N-[(3-hydroxyphenyl)methyl]quinoline-4-carboxamide
CID 112733916
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
CID 90046746
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
(2S)-2-[2-(4-fluorobenzoyl)hydrazinyl]-3-phenylpropanoic acid
CID 171561206
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536
N-(2-oxoethyl)quinoline-4-carboxamide
CID 138723013
(2R)-3-phenyl-2-(phosphanylamino)propanoic acid
CID 70012014
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
N-(2-phenylphenyl)quinoline-4-carboxamide
CID 142724043

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid?
The IUPAC name of (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid (CID 142645779) is (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid.
What is the SMILES notation for (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid?
The canonical SMILES for (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid is O=C(NN[C@@H](Cc1ccccc1)C(=O)O)c1ccnc2ccccc12.
What is the InChIKey of (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid?
The InChIKey is UDEJLZDRZGRWFC-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-18(15-10-11-20-16-9-5-4-8-14(15)16)22-21-17(19(24)25)12-13-6-2-1-3-7-13/h1-11,17,21H,12H2,(H,22,23)(H,24,25)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid?
(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid has a molecular weight of 335.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid is sourced from PubChem (CID 142645779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).