(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid

C13H17NO4S — CID 122069426

IUPAC(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(16)12(11-7-2-1-3-8-11)14-19(17,18)9-10-5-4-6-10/h1-3,7-8,10,12,14H,4-6,9H2,(H,15,16)/t12-/m1/s1
InChIKeyNHKACAQUBQQPIK-GFCCVEGCSA-N
MW283.35 g/mol
LogP1.53
Rot. Bonds6

About (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid

(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid (PubChem CID 122069426) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
PubChem CID122069426
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
SMILESO=C(O)[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1
InChIInChI=1S/C13H17NO4S/c15-13(16)12(11-7-2-1-3-8-11)14-19(17,18)9-10-5-4-6-10/h1-3,7-8,10,12,14H,4-6,9H2,(H,15,16)/t12-/m1/s1
InChIKeyNHKACAQUBQQPIK-GFCCVEGCSA-N
XLogP1.53
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(oxolan-2-ylmethylsulfonylamino)-2-phenylacetic acid
CID 63247069
N-(cyclobutylmethylsulfonyl)-2-phenylpropanamide
CID 102561766
2-(cyclopropylmethylsulfonylamino)-2-thiophen-2-ylacetic acid
CID 115284374
(2S)-2-(benzylsulfonylamino)-2-phenylacetic acid
CID 103862430
(2S)-2-(2-methylsulfonylethylsulfonylamino)-2-phenylacetic acid
CID 103862434
2-(butylsulfonylamino)-2-phenylacetic acid
CID 16775375
(2R)-2-(2-methylprop-2-enylsulfonylamino)-2-phenylacetic acid
CID 122069455
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
CID 103159342
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
(2R)-2-(benzenesulfonamido)-2-phenylacetic acid
CID 2062887
(2R)-2-phenyl-2-(3-phenylmethoxypropylsulfonylamino)acetic acid
CID 114286000

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid (CID 122069426) is (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid is O=C(O)[C@H](NS(=O)(=O)CC1CCC1)c1ccccc1.
What is the InChIKey of (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid?
The InChIKey is NHKACAQUBQQPIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17NO4S/c15-13(16)12(11-7-2-1-3-8-11)14-19(17,18)9-10-5-4-6-10/h1-3,7-8,10,12,14H,4-6,9H2,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid?
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid has a molecular weight of 283.35 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid is sourced from PubChem (CID 122069426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).