(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid

C10H15N3O4S — CID 106421210

IUPAC(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
SMILESCSCC[C@@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-18-5-3-8(9(14)15)13-10(16)11-6-7-2-4-12-17-7/h2,4,8H,3,5-6H2,1H3,(H,14,15)(H2,11,13,16)/t8-/m1/s1
InChIKeyLKWONOXNVMWADQ-MRVPVSSYSA-N
MW273.31 g/mol
LogP0.68
Rot. Bonds7

About (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid

(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid (PubChem CID 106421210) has the molecular formula C10H15N3O4S and a molecular weight of 273.31 g/mol. Its IUPAC name is (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
PubChem CID106421210
Molecular FormulaC10H15N3O4S
Molecular Weight273.31 g/mol
Exact Mass273.08
IUPAC Name(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
SMILESCSCC[C@@H](NC(=O)NCc1ccno1)C(=O)O
InChIInChI=1S/C10H15N3O4S/c1-18-5-3-8(9(14)15)13-10(16)11-6-7-2-4-12-17-7/h2,4,8H,3,5-6H2,1H3,(H,14,15)(H2,11,13,16)/t8-/m1/s1
InChIKeyLKWONOXNVMWADQ-MRVPVSSYSA-N
XLogP0.68
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-oxazol-5-ylmethylcarbamoylamino)pentanoic acid
CID 106421246
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
4-methylsulfanyl-2-(1,2-oxazol-5-ylcarbamoylamino)butanoic acid
CID 108813989
(2R)-4-amino-2-(1,2-oxazol-5-ylmethylcarbamoylamino)-4-oxobutanoic acid
CID 106421305
(2S)-2-amino-4-methylsulfanyl-N-(1,2-oxazol-5-ylmethyl)butanamide
CID 106417251
3,3-dimethyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid
CID 106421303
(2R)-4-methylsulfanyl-2-(pyrimidin-4-ylmethylcarbamoylamino)butanoic acid
CID 114111841
(2R)-3-(1H-imidazol-5-yl)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106421215
(2R)-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 104941436
3-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 114186675
2-(1,2-oxazol-5-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 106420891
4-methylsulfanyl-2-[(1-methyl-1,2,4-triazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113364544

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid?
The IUPAC name of (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid (CID 106421210) is (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid.
What is the SMILES notation for (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid?
The canonical SMILES for (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid is CSCC[C@@H](NC(=O)NCc1ccno1)C(=O)O.
What is the InChIKey of (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid?
The InChIKey is LKWONOXNVMWADQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O4S/c1-18-5-3-8(9(14)15)13-10(16)11-6-7-2-4-12-17-7/h2,4,8H,3,5-6H2,1H3,(H,14,15)(H2,11,13,16)/t8-/m1/s1.
What are the key properties of (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid?
(2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid has a molecular weight of 273.31 g/mol, XLogP of 0.68, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methylsulfanyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)butanoic acid is sourced from PubChem (CID 106421210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).