(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid

C13H13N3O3S — CID 61194222

IUPAC(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1csc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C13H13N3O3S/c1-8-7-20-13(14-8)16-12(19)15-10(11(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,17,18)(H2,14,15,16,19)/t10-/m1/s1
InChIKeyBHDNOQYBIULVHL-SNVBAGLBSA-N
MW291.33 g/mol
LogP2.40
Rot. Bonds4

About (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid

(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid (PubChem CID 61194222) has the molecular formula C13H13N3O3S and a molecular weight of 291.33 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
PubChem CID61194222
Molecular FormulaC13H13N3O3S
Molecular Weight291.33 g/mol
Exact Mass291.07
IUPAC Name(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid
SMILESCc1csc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1
InChIInChI=1S/C13H13N3O3S/c1-8-7-20-13(14-8)16-12(19)15-10(11(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,17,18)(H2,14,15,16,19)/t10-/m1/s1
InChIKeyBHDNOQYBIULVHL-SNVBAGLBSA-N
XLogP2.40
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid (CID 61194222) is (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid is Cc1csc(NC(=O)N[C@@H](C(=O)O)c2ccccc2)n1.
What is the InChIKey of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
The InChIKey is BHDNOQYBIULVHL-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13N3O3S/c1-8-7-20-13(14-8)16-12(19)15-10(11(17)18)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,17,18)(H2,14,15,16,19)/t10-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid?
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid has a molecular weight of 291.33 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-2-phenylacetic acid is sourced from PubChem (CID 61194222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).