(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid

C14H22N2O4S — CID 120614601

IUPAC(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cnc(C(C)OCC)s1)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-4-6-7-10(14(18)19)16-12(17)11-8-15-13(21-11)9(3)20-5-2/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1
InChIKeyLMGTWNRYVXVTFG-AXDSSHIGSA-N
MW314.41 g/mol
LogP2.61
Rot. Bonds9

About (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid

(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid (PubChem CID 120614601) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
PubChem CID120614601
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid
SMILESCCCC[C@H](NC(=O)c1cnc(C(C)OCC)s1)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-4-6-7-10(14(18)19)16-12(17)11-8-15-13(21-11)9(3)20-5-2/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1
InChIKeyLMGTWNRYVXVTFG-AXDSSHIGSA-N
XLogP2.61
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid with MolForge

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Related Compounds

(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]propanoic acid
CID 119942882
2-[(2-methyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 104543694
2-(1-ethoxyethyl)-1,3-thiazole-5-carboxylic acid
CID 54595729
4-methoxy-2-[(2-propan-2-yl-1,3-thiazole-5-carbonyl)amino]butanoic acid
CID 120701936
(2S)-2-[(5-methylthiophene-2-carbonyl)amino]hexanoic acid
CID 93031784
2-[(5-ethylthiophene-2-carbonyl)amino]hexanoic acid
CID 43469771
N-[(3,3-difluorocyclobutyl)methyl]-2-[(1S)-1-ethoxyethyl]-1,3-thiazole-5-carboxamide
CID 164633307
[2-(1-ethoxyethyl)-1,3-thiazol-5-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 146123255
(2R)-4-methyl-2-[(2-propyl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 119363034
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
(2S)-2-[(4-ethoxybenzoyl)amino]hexanoic acid
CID 107144444
2-(2H-triazole-4-carbonylamino)hexanoic acid
CID 63283324

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The IUPAC name of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid (CID 120614601) is (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid.
What is the SMILES notation for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The canonical SMILES for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid is CCCC[C@H](NC(=O)c1cnc(C(C)OCC)s1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
The InChIKey is LMGTWNRYVXVTFG-AXDSSHIGSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-6-7-10(14(18)19)16-12(17)11-8-15-13(21-11)9(3)20-5-2/h8-10H,4-7H2,1-3H3,(H,16,17)(H,18,19)/t9?,10-/m0/s1.
What are the key properties of (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid?
(2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid has a molecular weight of 314.41 g/mol, XLogP of 2.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(1-ethoxyethyl)-1,3-thiazole-5-carbonyl]amino]hexanoic acid is sourced from PubChem (CID 120614601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).