(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid

C15H21NO7S — CID 120605778

IUPAC(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO7S/c1-9(2)7-11(14(17)18)16-24(20,21)13-6-5-10(15(19)23-4)8-12(13)22-3/h5-6,8-9,11,16H,7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyYGDHSRBTQMMQNJ-LLVKDONJSA-N
MW359.40 g/mol
LogP1.26
Rot. Bonds8

About (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid

(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid (PubChem CID 120605778) has the molecular formula C15H21NO7S and a molecular weight of 359.40 g/mol. Its IUPAC name is (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
PubChem CID120605778
Molecular FormulaC15H21NO7S
Molecular Weight359.40 g/mol
Exact Mass359.10
IUPAC Name(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)c(OC)c1
InChIInChI=1S/C15H21NO7S/c1-9(2)7-11(14(17)18)16-24(20,21)13-6-5-10(15(19)23-4)8-12(13)22-3/h5-6,8-9,11,16H,7H2,1-4H3,(H,17,18)/t11-/m1/s1
InChIKeyYGDHSRBTQMMQNJ-LLVKDONJSA-N
XLogP1.26
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 119142039
(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 120605776
2-[[2-[(1-carboxy-3-methylbutyl)sulfamoyl]phenyl]sulfonylamino]-4-methylpentanoic acid
CID 24761708
(2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 42256056
2-[(3-fluoro-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid
CID 120581571
(2S)-2-[(4-chloro-2-methoxyphenyl)sulfonylamino]butanedioic acid
CID 112733144
2-[(2,4-dimethoxyphenyl)sulfonylamino]pentanoic acid
CID 43631181
methyl 4-[(1-amino-4-methylpentan-2-yl)sulfamoyl]-3-chlorobenzoate
CID 119983276
methyl 3-amino-4-[[(2S)-1-hydroxypropan-2-yl]sulfamoyl]benzoate
CID 93081321
methyl 4-[(2-amino-2-methylpropyl)sulfamoyl]-3-methoxybenzoate;hydrochloride
CID 120711512
(2R)-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 28828960
(2S)-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-4-methylpentanoic acid
CID 61154149

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid (CID 120605778) is (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid is COC(=O)c1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)O)c(OC)c1.
What is the InChIKey of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid?
The InChIKey is YGDHSRBTQMMQNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H21NO7S/c1-9(2)7-11(14(17)18)16-24(20,21)13-6-5-10(15(19)23-4)8-12(13)22-3/h5-6,8-9,11,16H,7H2,1-4H3,(H,17,18)/t11-/m1/s1.
What are the key properties of (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid?
(2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid has a molecular weight of 359.40 g/mol, XLogP of 1.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-methoxy-4-methoxycarbonylphenyl)sulfonylamino]-4-methylpentanoic acid is sourced from PubChem (CID 120605778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).