(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid

C10H14N2O4S — CID 107822577

IUPAC(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCc1nc(CC(=O)N[C@@H](CCO)C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-6-11-7(5-17-6)4-9(14)12-8(2-3-13)10(15)16/h5,8,13H,2-4H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyWDQCBGAXNZQNKR-QMMMGPOBSA-N
MW258.30 g/mol
LogP-0.05
Rot. Bonds6

About (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid

(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (PubChem CID 107822577) has the molecular formula C10H14N2O4S and a molecular weight of 258.30 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
PubChem CID107822577
Molecular FormulaC10H14N2O4S
Molecular Weight258.30 g/mol
Exact Mass258.07
IUPAC Name(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid
SMILESCc1nc(CC(=O)N[C@@H](CCO)C(=O)O)cs1
InChIInChI=1S/C10H14N2O4S/c1-6-11-7(5-17-6)4-9(14)12-8(2-3-13)10(15)16/h5,8,13H,2-4H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1
InChIKeyWDQCBGAXNZQNKR-QMMMGPOBSA-N
XLogP-0.05
TPSA99.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 43630580
(2S)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 51052302
(2S)-4-methoxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 63307024
4-hydroxy-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106038221
(2R)-3-(1H-imidazol-5-yl)-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 104894251
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]pentanoic acid
CID 43631009
4-methoxy-2-[4-(2-methyl-1,3-thiazol-4-yl)butanoylamino]butanoic acid
CID 120702123
diethyl 2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanedioate
CID 43409386
(2S)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanedioic acid
CID 62799107
(2S)-2-[[2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]acetyl]amino]hexanoic acid
CID 107144770
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-3-hydroxypropanoic acid
CID 82547773

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid (CID 107822577) is (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is Cc1nc(CC(=O)N[C@@H](CCO)C(=O)O)cs1.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
The InChIKey is WDQCBGAXNZQNKR-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2O4S/c1-6-11-7(5-17-6)4-9(14)12-8(2-3-13)10(15)16/h5,8,13H,2-4H2,1H3,(H,12,14)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid has a molecular weight of 258.30 g/mol, XLogP of -0.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]butanoic acid is sourced from PubChem (CID 107822577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).