(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid

C17H24N2O6S — CID 119364001

IUPAC(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C17H24N2O6S/c1-12(2)11-14(17(21)22)18-16(20)13-5-3-4-6-15(13)26(23,24)19-7-9-25-10-8-19/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyARMXHYCWVHHFAJ-CQSZACIVSA-N
MW384.45 g/mol
LogP0.94
Rot. Bonds7

About (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid

(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid (PubChem CID 119364001) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
PubChem CID119364001
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC Name(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)O
InChIInChI=1S/C17H24N2O6S/c1-12(2)11-14(17(21)22)18-16(20)13-5-3-4-6-15(13)26(23,24)19-7-9-25-10-8-19/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1
InChIKeyARMXHYCWVHHFAJ-CQSZACIVSA-N
XLogP0.94
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-methyl-2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid
CID 119361822
(2R)-4-methyl-2-[(2-methylsulfonylbenzoyl)amino]pentanoic acid
CID 41119776
2-morpholin-4-ylsulfonyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 39944232
2-[(2-piperidin-1-ylsulfonylbenzoyl)amino]butanoic acid
CID 119223642
2-morpholin-4-ylsulfonylbenzohydrazide
CID 71258107
N-(4-butan-2-ylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 43072275
N-(2-methylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 55623858
N-[1-(2,4-dimethoxyphenyl)ethyl]-2-morpholin-4-ylsulfonylbenzamide
CID 55625600
N-(4-tert-butylphenyl)-2-morpholin-4-ylsulfonylbenzamide
CID 39888559
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
N-(3-aminopropyl)-2-morpholin-4-ylsulfonylbenzamide
CID 119407704
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid (CID 119364001) is (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid is CC(C)C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
The InChIKey is ARMXHYCWVHHFAJ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-12(2)11-14(17(21)22)18-16(20)13-5-3-4-6-15(13)26(23,24)19-7-9-25-10-8-19/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22)/t14-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid?
(2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid has a molecular weight of 384.45 g/mol, XLogP of 0.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(2-morpholin-4-ylsulfonylbenzoyl)amino]pentanoic acid is sourced from PubChem (CID 119364001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).