(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid

C10H15N3O3S — CID 78995805

IUPAC(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1csc(C(C)NC(=O)N[C@H](C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S/c1-5-4-17-8(11-5)6(2)12-10(16)13-7(3)9(14)15/h4,6-7H,1-3H3,(H,14,15)(H2,12,13,16)/t6?,7-/m1/s1
InChIKeyGOWIOUYACLLLBN-COBSHVIPSA-N
MW257.31 g/mol
LogP1.28
Rot. Bonds4

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

(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 78995805) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
PubChem CID78995805
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
SMILESCc1csc(C(C)NC(=O)N[C@H](C)C(=O)O)n1
InChIInChI=1S/C10H15N3O3S/c1-5-4-17-8(11-5)6(2)12-10(16)13-7(3)9(14)15/h4,6-7H,1-3H3,(H,14,15)(H2,12,13,16)/t6?,7-/m1/s1
InChIKeyGOWIOUYACLLLBN-COBSHVIPSA-N
XLogP1.28
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 114898569
2-[[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 65224255
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875872
3-bromo-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 82108654
N-[4-[[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]carbamoylamino]phenyl]propanamide
CID 95311131
1,1-diethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 115609023
1-(2-tert-butylpyrimidin-5-yl)-3-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 95313485
1-[2-(hydroxymethyl)cyclohexyl]-3-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]urea
CID 111630900
2-methyl-3-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119875883
1-methyl-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82764933
2-[1-(4-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 83041636

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid (CID 78995805) is (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid is Cc1csc(C(C)NC(=O)N[C@H](C)C(=O)O)n1.
What is the InChIKey of (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is GOWIOUYACLLLBN-COBSHVIPSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-5-4-17-8(11-5)6(2)12-10(16)13-7(3)9(14)15/h4,6-7H,1-3H3,(H,14,15)(H2,12,13,16)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid?
(2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 1.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 78995805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).