(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid

C13H15Cl2NO4 — CID 79011316

IUPAC(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-6(2)10(13(18)19)16-12(17)7-4-8(14)11(20-3)9(15)5-7/h4-6,10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyUTDYUGOTNXAFQB-SNVBAGLBSA-N
MW320.17 g/mol
LogP2.84
Rot. Bonds5

About (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid

(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid (PubChem CID 79011316) has the molecular formula C13H15Cl2NO4 and a molecular weight of 320.17 g/mol. Its IUPAC name is (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
PubChem CID79011316
Molecular FormulaC13H15Cl2NO4
Molecular Weight320.17 g/mol
Exact Mass319.04
IUPAC Name(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid
SMILESCOc1c(Cl)cc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1Cl
InChIInChI=1S/C13H15Cl2NO4/c1-6(2)10(13(18)19)16-12(17)7-4-8(14)11(20-3)9(15)5-7/h4-6,10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1
InChIKeyUTDYUGOTNXAFQB-SNVBAGLBSA-N
XLogP2.84
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.17
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 16773523
(2S)-2-[(3,4-dichlorobenzoyl)amino]-3-methylbutanoic acid
CID 42255555
3,5-dichloro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-methoxybenzamide
CID 79252019
(2S)-2-[(3-chloro-4,5-dimethoxybenzoyl)amino]propanoic acid
CID 92922298
3,5-dichloro-4-methoxy-N-[(1R)-1-phenylethyl]benzamide
CID 9033034
2-[(3,5-dichloro-4-methoxybenzoyl)amino]pentanoic acid
CID 43631004
3,5-dichloro-N-(1,3-dihydroxypropan-2-yl)-4-methoxybenzamide
CID 65315023
(2S)-2-[(3-chloro-4-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 81450781
3,5-dichloro-N-(1-cyclopropylethyl)-4-methoxybenzamide
CID 134040755
(2R)-4-amino-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-4-oxobutanoic acid
CID 107821455
(2S)-2-[(3-chloro-5-methylbenzoyl)amino]-3-methylbutanoic acid
CID 81323454
2-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]-3-methylbutanoic acid
CID 119169977

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid?
The IUPAC name of (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid (CID 79011316) is (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid is COc1c(Cl)cc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1Cl.
What is the InChIKey of (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is UTDYUGOTNXAFQB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15Cl2NO4/c1-6(2)10(13(18)19)16-12(17)7-4-8(14)11(20-3)9(15)5-7/h4-6,10H,1-3H3,(H,16,17)(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid?
(2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 320.17 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,5-dichloro-4-methoxybenzoyl)amino]-3-methylbutanoic acid is sourced from PubChem (CID 79011316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).