(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid

C15H18Cl2N2O4 — CID 158383588

IUPAC(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NNC(=O)CC(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C15H18Cl2N2O4/c1-8(2)5-12(15(22)23)18-19-14(21)7-13(20)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyNBIQLTQADGTASE-GFCCVEGCSA-N
MW361.23 g/mol
LogP2.69
Rot. Bonds8

About (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid

(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid (PubChem CID 158383588) has the molecular formula C15H18Cl2N2O4 and a molecular weight of 361.23 g/mol. Its IUPAC name is (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid
PubChem CID158383588
Molecular FormulaC15H18Cl2N2O4
Molecular Weight361.23 g/mol
Exact Mass360.06
IUPAC Name(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NNC(=O)CC(=O)c1cc(Cl)ccc1Cl)C(=O)O
InChIInChI=1S/C15H18Cl2N2O4/c1-8(2)5-12(15(22)23)18-19-14(21)7-13(20)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1
InChIKeyNBIQLTQADGTASE-GFCCVEGCSA-N
XLogP2.69
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]-4-methylpentanoic acid
CID 43238522
(2R)-2-[(2,5-dichlorophenyl)methylamino]-4-methylpentanoic acid
CID 120511304
2-[(5-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185166
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
2-[(4-chloro-2-hydroxybenzoyl)amino]-4-methylpentanoic acid
CID 43185164
(2S)-2-[[2-(2-amino-4-chlorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 142782866
(2S)-2-[[2-[(4-chloro-2-methylbenzoyl)amino]acetyl]amino]-4-methylpentanoic acid
CID 120695546
(2R)-2-[(6-chloro-2,3-difluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 122069300
(2R)-2-[[2-(5-chloro-2-methoxyphenyl)acetyl]amino]-4-methylpentanoic acid
CID 78975845
(2S)-2-[(4-chloro-2-fluorophenyl)methylamino]-4-methylpentanoic acid
CID 120510824
2-[(2,5-dichlorobenzoyl)amino]-3-hydroxypropanoic acid
CID 43184020
(2S)-2-[[2-[[2-(4-chlorophenyl)-2-methylpropanoyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694411

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid (CID 158383588) is (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid is CC(C)C[C@@H](NNC(=O)CC(=O)c1cc(Cl)ccc1Cl)C(=O)O.
What is the InChIKey of (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid?
The InChIKey is NBIQLTQADGTASE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18Cl2N2O4/c1-8(2)5-12(15(22)23)18-19-14(21)7-13(20)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,18H,5,7H2,1-2H3,(H,19,21)(H,22,23)/t12-/m1/s1.
What are the key properties of (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid?
(2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid has a molecular weight of 361.23 g/mol, XLogP of 2.69, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-[3-(2,5-dichlorophenyl)-3-oxopropanoyl]hydrazinyl]-4-methylpentanoic acid is sourced from PubChem (CID 158383588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).