(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid

C14H17BrN2O4 — CID 7460728

IUPAC(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
SMILESCC[C@@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O
InChIInChI=1S/C14H17BrN2O4/c1-2-9(14(20)21)7-8-12(18)16-17-13(19)10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-/m0/s1
InChIKeyBQAJCDCZAPZMOD-VIFPVBQESA-N
MW357.20 g/mol
LogP2.10
Rot. Bonds6

About (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid

(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid (PubChem CID 7460728) has the molecular formula C14H17BrN2O4 and a molecular weight of 357.20 g/mol. Its IUPAC name is (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
PubChem CID7460728
Molecular FormulaC14H17BrN2O4
Molecular Weight357.20 g/mol
Exact Mass356.04
IUPAC Name(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
SMILESCC[C@@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O
InChIInChI=1S/C14H17BrN2O4/c1-2-9(14(20)21)7-8-12(18)16-17-13(19)10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-/m0/s1
InChIKeyBQAJCDCZAPZMOD-VIFPVBQESA-N
XLogP2.10
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid
CID 7460730
2-[4-[2-(2-bromobenzoyl)hydrazinyl]-4-oxobutan-2-yl]hexanoic acid
CID 3808941
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-methylpentanoate
CID 7848136
2-bromo-N'-[3-(4-ethylphenyl)propanoyl]benzohydrazide
CID 9399855
1-[(2-bromobenzoyl)amino]-3-methylurea
CID 47140225
2-bromo-N'-(3-thiophen-3-ylpropanoyl)benzohydrazide
CID 29264655
N'-(2-bromobenzoyl)-2-methylsulfanylbenzohydrazide
CID 4807983
(2R)-2-ethyl-5-oxo-5-(pyridin-2-ylamino)pentanoic acid
CID 946111
2-heptyl-1-N',5-N'-bis(2-hydroxybenzoyl)pentanedihydrazide
CID 101305980
N-[4-[[(2-bromobenzoyl)amino]carbamoyl]phenyl]butanamide
CID 1011742
[2-[2-(2-bromobenzoyl)hydrazinyl]-2-oxoethyl] 4-ethylbenzoate
CID 7775563
[6-[2-(2-bromobenzoyl)hydrazinyl]-6-oxohexyl]urea
CID 9037779

Frequently Asked Questions

What is the IUPAC name of (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid?
The IUPAC name of (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid (CID 7460728) is (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid is CC[C@@H](CCC(=O)NNC(=O)c1ccccc1Br)C(=O)O.
What is the InChIKey of (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid?
The InChIKey is BQAJCDCZAPZMOD-VIFPVBQESA-N. The full InChI is InChI=1S/C14H17BrN2O4/c1-2-9(14(20)21)7-8-12(18)16-17-13(19)10-5-3-4-6-11(10)15/h3-6,9H,2,7-8H2,1H3,(H,16,18)(H,17,19)(H,20,21)/t9-/m0/s1.
What are the key properties of (2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid?
(2S)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid has a molecular weight of 357.20 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)-5-[2-(2-bromobenzoyl)hydrazinyl]-2-ethyl-5-oxopentanoic acid is sourced from PubChem (CID 7460728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).