cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid

C14H19NO5S — CID 167914009

IUPACcis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1CS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H19NO5S/c16-12(6-10-4-2-1-3-5-10)8-15-21(19,20)9-11-7-13(11)14(17)18/h1-5,11-13,15-16H,6-9H2,(H,17,18)/t11-,12?,13+/m0/s1
InChIKeyCZYBHEIJQVAZPN-IAMFDIQRSA-N
MW313.37 g/mol
LogP0.23
Rot. Bonds8

About cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid

cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid (PubChem CID 167914009) has the molecular formula C14H19NO5S and a molecular weight of 313.37 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
PubChem CID167914009
Molecular FormulaC14H19NO5S
Molecular Weight313.37 g/mol
Exact Mass313.10
IUPAC Namecis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1CS(=O)(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C14H19NO5S/c16-12(6-10-4-2-1-3-5-10)8-15-21(19,20)9-11-7-13(11)14(17)18/h1-5,11-13,15-16H,6-9H2,(H,17,18)/t11-,12?,13+/m0/s1
InChIKeyCZYBHEIJQVAZPN-IAMFDIQRSA-N
XLogP0.23
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-phenylpropyl)-2-methylbutane-1-sulfonamide
CID 111439961
1-[(2-hydroxy-3-phenylpropyl)sulfamoyl]piperidine-3-carboxylic acid
CID 136549040
N-(2-hydroxy-3-phenylpropyl)-2-phenylcyclopropane-1-carboxamide
CID 111102549
4-[(2-hydroxy-3-phenylpropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120673460
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
1-(2,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)methanesulfonamide
CID 110018886
(3R)-N-[(2S)-2-hydroxy-3-phenylpropyl]-3-methylpiperidine-1-sulfonamide
CID 100879746
(1R)-2-(2-phenylethyl)cyclopropane-1-carboxylic acid
CID 67182121
4-[[(2R)-2-hydroxy-3-phenylpropyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122023942
1-[(1S,4S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]-N-[(2S)-2-hydroxy-3-phenylpropyl]methanesulfonamide
CID 100834467
N-[(2S)-2-hydroxy-3-phenylpropyl]acetamide
CID 95367778
1-(cyclopropylmethylamino)-3-phenylpropan-2-ol
CID 111104724

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid (CID 167914009) is cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1CS(=O)(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
The InChIKey is CZYBHEIJQVAZPN-IAMFDIQRSA-N. The full InChI is InChI=1S/C14H19NO5S/c16-12(6-10-4-2-1-3-5-10)8-15-21(19,20)9-11-7-13(11)14(17)18/h1-5,11-13,15-16H,6-9H2,(H,17,18)/t11-,12?,13+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid?
cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid has a molecular weight of 313.37 g/mol, XLogP of 0.23, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(2-hydroxy-3-phenylpropyl)sulfamoylmethyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 167914009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).