(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid

C13H11ClN2O3S — CID 107316089

IUPAC(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
SMILESO=C(Nc1ccsc1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)16-13(19)15-8-5-6-20-7-8/h1-7,11H,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyNIXHGAOOJFIWGT-LLVKDONJSA-N
MW310.76 g/mol
LogP3.35
Rot. Bonds4

About (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid

(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid (PubChem CID 107316089) has the molecular formula C13H11ClN2O3S and a molecular weight of 310.76 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
PubChem CID107316089
Molecular FormulaC13H11ClN2O3S
Molecular Weight310.76 g/mol
Exact Mass310.02
IUPAC Name(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid
SMILESO=C(Nc1ccsc1)N[C@@H](C(=O)O)c1ccccc1Cl
InChIInChI=1S/C13H11ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)16-13(19)15-8-5-6-20-7-8/h1-7,11H,(H,17,18)(H2,15,16,19)/t11-/m1/s1
InChIKeyNIXHGAOOJFIWGT-LLVKDONJSA-N
XLogP3.35
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.76
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2-chlorophenyl)-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
CID 107314887
(2R)-2-(but-3-en-2-ylcarbamoylamino)-2-(2-chlorophenyl)acetic acid
CID 107316144
(2R)-2-(2-chlorophenyl)-2-(cyclopentylcarbamoylamino)acetic acid
CID 107314892
(2R)-2-(2-chlorophenyl)-2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]acetic acid
CID 107316028
(2R)-2-(2-chlorophenyl)-2-(methylamino)acetic acid
CID 51886753
(2R)-2-(2-chlorophenyl)-2-(2-methylpentan-3-ylcarbamoylamino)acetic acid
CID 107316027
(2R)-2-(2-chlorophenyl)-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 107315934
(2R)-2-(2-chlorophenyl)-2-(2-methylbut-3-yn-2-ylcarbamoylamino)acetic acid
CID 107316075
(2S)-3,3-dimethyl-2-(thiophen-3-ylcarbamoylamino)butanoic acid
CID 66354816
(2R)-2-(2-chlorophenyl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 107314389
2-(4-chloroanilino)-2-(2-chlorophenyl)acetic acid
CID 54890414
(2R)-2-(2-chlorophenyl)-2-(1,2-oxazol-3-ylmethylcarbamoylamino)acetic acid
CID 107316096

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid?
The IUPAC name of (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid (CID 107316089) is (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid.
What is the SMILES notation for (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid?
The canonical SMILES for (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid is O=C(Nc1ccsc1)N[C@@H](C(=O)O)c1ccccc1Cl.
What is the InChIKey of (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid?
The InChIKey is NIXHGAOOJFIWGT-LLVKDONJSA-N. The full InChI is InChI=1S/C13H11ClN2O3S/c14-10-4-2-1-3-9(10)11(12(17)18)16-13(19)15-8-5-6-20-7-8/h1-7,11H,(H,17,18)(H2,15,16,19)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid?
(2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid has a molecular weight of 310.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenyl)-2-(thiophen-3-ylcarbamoylamino)acetic acid is sourced from PubChem (CID 107316089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).