(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid

C13H19N3O3 — CID 175396342

IUPAC(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESCCc1ccccc1NN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-10(9)15-16-11(13(18)19)7-8-12(14)17/h3-6,11,15-16H,2,7-8H2,1H3,(H2,14,17)(H,18,19)/t11-/m0/s1
InChIKeyQDFWHPIGSAPYRU-NSHDSACASA-N
MW265.31 g/mol
LogP0.88
Rot. Bonds8

About (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid

(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid (PubChem CID 175396342) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid
PubChem CID175396342
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid
SMILESCCc1ccccc1NN[C@@H](CCC(N)=O)C(=O)O
InChIInChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-10(9)15-16-11(13(18)19)7-8-12(14)17/h3-6,11,15-16H,2,7-8H2,1H3,(H2,14,17)(H,18,19)/t11-/m0/s1
InChIKeyQDFWHPIGSAPYRU-NSHDSACASA-N
XLogP0.88
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.88
H-Bond Donors ≤ 54
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)-5-amino-2-anilino-5-oxopentanoic acid
CID 54197392
(2S)-5-amino-2-(2-methylhydrazinyl)-5-oxopentanoic acid
CID 59039488
CID 68604008
CID 68604008
(2S)-5-amino-2-[2-(3,5-dihydroxyphenyl)hydrazinyl]-5-oxopentanoic acid
CID 142579206
(2R)-5-amino-2-[3-(2-methylphenyl)propanoylamino]-5-oxopentanoic acid
CID 107830087
(2R)-5-amino-2-[(3-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 107830298
(2S)-2-[(2-ethylphenyl)carbamoylamino]hexanoic acid
CID 107145410
5-amino-5-oxo-2-[2-(2-oxo-1-pyridinyl)pentanoylamino]pentanoic acid
CID 82031085
5-amino-2-[(2-bromo-3-chlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 103480866
2-amino-3-(2-ethylanilino)propanoic acid
CID 103235875
5-amino-2-[(2-amino-2-phenylpropanoyl)amino]-5-oxopentanoic acid
CID 62487551
5-amino-5-oxo-2-(phenoxycarbonylamino)pentanoic acid
CID 23278909

Frequently Asked Questions

What is the IUPAC name of (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid (CID 175396342) is (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid is CCc1ccccc1NN[C@@H](CCC(N)=O)C(=O)O.
What is the InChIKey of (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid?
The InChIKey is QDFWHPIGSAPYRU-NSHDSACASA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-9-5-3-4-6-10(9)15-16-11(13(18)19)7-8-12(14)17/h3-6,11,15-16H,2,7-8H2,1H3,(H2,14,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid?
(2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid has a molecular weight of 265.31 g/mol, XLogP of 0.88, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-amino-2-[2-(2-ethylphenyl)hydrazinyl]-5-oxopentanoic acid is sourced from PubChem (CID 175396342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).