5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid

C18H20N2O5 — CID 8757642

IUPAC5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C18H20N2O5/c1-12(18(24)20-19-16(21)7-4-8-17(22)23)25-15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t12-/m0/s1
InChIKeyGOKOXQUUTNWSJU-LBPRGKRZSA-N
MW344.37 g/mol
LogP2.01
Rot. Bonds7

About 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid

5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid (PubChem CID 8757642) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
PubChem CID8757642
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid
SMILESC[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)O
InChIInChI=1S/C18H20N2O5/c1-12(18(24)20-19-16(21)7-4-8-17(22)23)25-15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t12-/m0/s1
InChIKeyGOKOXQUUTNWSJU-LBPRGKRZSA-N
XLogP2.01
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.01
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

methyl 4-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-4-oxobutanoate
CID 8757583
(2R)-2-naphthalen-2-yloxy-N'-propanoylpropanehydrazide
CID 8757548
N'-[3-(4-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 42908764
N'-[3-(2-methoxyphenyl)propanoyl]-2-naphthalen-2-yloxypropanehydrazide
CID 55342358
N-[[[(2S)-2-naphthalen-2-yloxypropanoyl]amino]carbamothioyl]pentanamide
CID 8757699
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
(2R)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757605
(2S)-2-(4-methylphenoxy)-N'-[(2R)-2-naphthalen-2-yloxypropanoyl]propanehydrazide
CID 8757604
N'-[2-(4-chlorophenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 4940235
2-naphthalen-2-yloxy-N'-[(E)-3-phenylprop-2-enoyl]propanehydrazide
CID 6234718
N'-(2-naphthalen-2-yloxypropanoyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanehydrazide
CID 43003636

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid (CID 8757642) is 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid is C[C@H](Oc1ccc2ccccc2c1)C(=O)NNC(=O)CCCC(=O)O.
What is the InChIKey of 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid?
The InChIKey is GOKOXQUUTNWSJU-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5/c1-12(18(24)20-19-16(21)7-4-8-17(22)23)25-15-10-9-13-5-2-3-6-14(13)11-15/h2-3,5-6,9-12H,4,7-8H2,1H3,(H,19,21)(H,20,24)(H,22,23)/t12-/m0/s1.
What are the key properties of 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid?
5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid has a molecular weight of 344.37 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2S)-2-naphthalen-2-yloxypropanoyl]hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 8757642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).