(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid

C11H14N2O4S — CID 120526981

IUPAC(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1csc(C2CCCO2)n1)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-6(11(15)16)12-9(14)7-5-18-10(13-7)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6-,8?/m1/s1
InChIKeyQKSLLQILHIPVGS-XPJFZRNWSA-N
MW270.31 g/mol
LogP1.20
Rot. Bonds4

About (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid

(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (PubChem CID 120526981) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
PubChem CID120526981
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid
SMILESC[C@@H](NC(=O)c1csc(C2CCCO2)n1)C(=O)O
InChIInChI=1S/C11H14N2O4S/c1-6(11(15)16)12-9(14)7-5-18-10(13-7)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6-,8?/m1/s1
InChIKeyQKSLLQILHIPVGS-XPJFZRNWSA-N
XLogP1.20
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid with MolForge

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Related Compounds

N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-2-[(2S)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97331883
1-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopropane-1-carboxylic acid
CID 120530552
N-[(2R)-2-methylbutyl]sulfonyl-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 99718542
N-[(1S)-3-methyl-1-pyridin-2-ylbutyl]-2-[(2R)-oxolan-2-yl]-1,3-thiazole-4-carboxamide
CID 97244066
4-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]butanoic acid
CID 120513455
cis-(1R,3S)-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678709
N-[2-ethyl-2-(hydroxymethyl)butyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109481376
2-[(2R)-oxolan-2-yl]-N-[(2R)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718727
2-[(2R)-oxolan-2-yl]-N-[(2S)-2-phenylpropyl]sulfonyl-1,3-thiazole-4-carboxamide
CID 99718728
4-methyl-3-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 120522343
N-[(2-hydroxycyclopentyl)methyl]-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 109476494
N-(2-methoxycycloheptyl)-2-(oxolan-2-yl)-1,3-thiazole-4-carboxamide
CID 84590927

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The IUPAC name of (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid (CID 120526981) is (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The canonical SMILES for (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is C[C@@H](NC(=O)c1csc(C2CCCO2)n1)C(=O)O.
What is the InChIKey of (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
The InChIKey is QKSLLQILHIPVGS-XPJFZRNWSA-N. The full InChI is InChI=1S/C11H14N2O4S/c1-6(11(15)16)12-9(14)7-5-18-10(13-7)8-3-2-4-17-8/h5-6,8H,2-4H2,1H3,(H,12,14)(H,15,16)/t6-,8?/m1/s1.
What are the key properties of (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid?
(2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid has a molecular weight of 270.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[2-(oxolan-2-yl)-1,3-thiazole-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 120526981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).