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

C14H15N3O3S — CID 104902316

IUPAC(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCc1csc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)17-13(20)16-11(12(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1
InChIKeyAPHRPHFLCCLWJT-LLVKDONJSA-N
MW305.36 g/mol
LogP2.27
Rot. Bonds5

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

(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid (PubChem CID 104902316) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
PubChem CID104902316
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
SMILESCc1csc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1
InChIInChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)17-13(20)16-11(12(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1
InChIKeyAPHRPHFLCCLWJT-LLVKDONJSA-N
XLogP2.27
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104874325
(2R)-2-[(3-methyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104902527
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104873963
1-(4-methyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
CID 47194043
N-[(2R)-1-[(4-methyl-1,3-thiazol-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 2428943
1-[(1R)-2-[(R)-methylsulfinyl]-1-phenylethyl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 97319656
1-(2-methylsulfinyl-1-phenylethyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 75424362
(2R)-3-phenyl-2-(phenylcarbamoylamino)propanoic acid
CID 676399
1-(2-methyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 47194232
1-(2,2-dimethyl-1-phenylpropyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78892751
(2S)-3-phenyl-2-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]carbamoylamino]propanoic acid
CID 58874688
3-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]butanoic acid
CID 61196654

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid?
The IUPAC name of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid (CID 104902316) is (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid?
The canonical SMILES for (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid is Cc1csc(NC(=O)N[C@H](Cc2ccccc2)C(=O)O)n1.
What is the InChIKey of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid?
The InChIKey is APHRPHFLCCLWJT-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-9-8-21-14(15-9)17-13(20)16-11(12(18)19)7-10-5-3-2-4-6-10/h2-6,8,11H,7H2,1H3,(H,18,19)(H2,15,16,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid?
(2R)-2-[(4-methyl-1,3-thiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid has a molecular weight of 305.36 g/mol, XLogP of 2.27, 5 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]-3-phenylpropanoic acid is sourced from PubChem (CID 104902316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).