(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid

C10H15N3O4S — CID 114131864

IUPAC(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)N[C@H](CO)C(=O)O)c1nccs1
InChIInChI=1S/C10H15N3O4S/c1-10(2,8-11-3-4-18-8)13-9(17)12-6(5-14)7(15)16/h3-4,6,14H,5H2,1-2H3,(H,15,16)(H2,12,13,17)/t6-/m1/s1
InChIKeyLXAPSVMNGCZCHO-ZCFIWIBFSA-N
MW273.31 g/mol
LogP0.12
Rot. Bonds5

About (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid

(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid (PubChem CID 114131864) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
PubChem CID114131864
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid
SMILESCC(C)(NC(=O)N[C@H](CO)C(=O)O)c1nccs1
InChIInChI=1S/C10H15N3O4S/c1-10(2,8-11-3-4-18-8)13-9(17)12-6(5-14)7(15)16/h3-4,6,14H,5H2,1-2H3,(H,15,16)(H2,12,13,17)/t6-/m1/s1
InChIKeyLXAPSVMNGCZCHO-ZCFIWIBFSA-N
XLogP0.12
TPSA111.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 103672241
2-methyl-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 114131819
(2S)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 63240719
(2R)-2-amino-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 104878243
3-amino-4,4-dimethyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]pentanamide
CID 114130929
N-[2-(1,3-thiazol-2-yl)propan-2-yl]prop-2-ynamide
CID 130748525
2-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]acetamide
CID 110472120
2-cyano-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide
CID 103718140
3-amino-3-phenyl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]propanamide;dihydrochloride
CID 119953291
2-methyl-2-(1,3-thiazol-2-yl)butanoic acid
CID 130545087
4-[2-(1,3-thiazol-2-yl)propan-2-ylamino]pentan-1-ol
CID 115975948
1-[2-(2-nitrophenyl)ethyl]-3-[2-(1,3-thiazol-2-yl)propan-2-yl]urea
CID 71867773

Frequently Asked Questions

What is the IUPAC name of (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid (CID 114131864) is (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid is CC(C)(NC(=O)N[C@H](CO)C(=O)O)c1nccs1.
What is the InChIKey of (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
The InChIKey is LXAPSVMNGCZCHO-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-10(2,8-11-3-4-18-8)13-9(17)12-6(5-14)7(15)16/h3-4,6,14H,5H2,1-2H3,(H,15,16)(H2,12,13,17)/t6-/m1/s1.
What are the key properties of (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid?
(2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.12, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-hydroxy-2-[2-(1,3-thiazol-2-yl)propan-2-ylcarbamoylamino]propanoic acid is sourced from PubChem (CID 114131864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).