2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid

C14H17NO5S — CID 43341336

IUPAC2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1cccc(S(C)(=O)=O)c1)(C(=O)O)C1CC1
InChIInChI=1S/C14H17NO5S/c1-14(13(17)18,10-6-7-10)15-12(16)9-4-3-5-11(8-9)21(2,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVRNUWQBTTUNLJJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.07
Rot. Bonds5

About 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid

2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid (PubChem CID 43341336) has the molecular formula C14H17NO5S and a molecular weight of 311.36 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
PubChem CID43341336
Molecular FormulaC14H17NO5S
Molecular Weight311.36 g/mol
Exact Mass311.08
IUPAC Name2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1cccc(S(C)(=O)=O)c1)(C(=O)O)C1CC1
InChIInChI=1S/C14H17NO5S/c1-14(13(17)18,10-6-7-10)15-12(16)9-4-3-5-11(8-9)21(2,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,16)(H,17,18)
InChIKeyVRNUWQBTTUNLJJ-UHFFFAOYSA-N
XLogP1.07
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(3-methylsulfonylbenzoyl)amino]pentanoic acid
CID 43618545
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
2-[(4-amino-3-methylbenzoyl)amino]-2-cyclopropylpropanoic acid
CID 61160610
2-cyclopropyl-2-[[3-(2-methyl-1,3-thiazol-4-yl)benzoyl]amino]propanoic acid
CID 75472233
N-cyclopentyloxy-3-methylsulfonylbenzamide
CID 83203011
(2R)-2-cyclopropyl-2-[(4-fluoro-3-methylbenzoyl)amino]propanoic acid
CID 95031796
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
N-[(1S,2S)-2-tert-butylcyclohexyl]-3-methylsulfonylbenzamide
CID 39634709
N-[2-(3,4-dichlorophenyl)propan-2-yl]-3-methylsulfonylbenzamide
CID 49334241
2-cyclopropyl-2-[[4-(dimethylamino)benzoyl]amino]propanoic acid
CID 43163018
N-bromo-3-methylsulfonylbenzamide
CID 174925666
N-(1-hydroxy-3-methylpentan-3-yl)-3-methylsulfonylbenzamide
CID 103945844

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid (CID 43341336) is 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid is CC(NC(=O)c1cccc(S(C)(=O)=O)c1)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid?
The InChIKey is VRNUWQBTTUNLJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5S/c1-14(13(17)18,10-6-7-10)15-12(16)9-4-3-5-11(8-9)21(2,19)20/h3-5,8,10H,6-7H2,1-2H3,(H,15,16)(H,17,18).
What are the key properties of 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid?
2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid has a molecular weight of 311.36 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(3-methylsulfonylbenzoyl)amino]propanoic acid is sourced from PubChem (CID 43341336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).