(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid

C14H21NO3S — CID 164642156

IUPAC(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
SMILESCC(C)Cc1ccc(CN2CCO[C@H](C(=O)O)C2)s1
InChIInChI=1S/C14H21NO3S/c1-10(2)7-11-3-4-12(19-11)8-15-5-6-18-13(9-15)14(16)17/h3-4,10,13H,5-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJGDZNTYSTPGUMF-ZDUSSCGKSA-N
MW283.39 g/mol
LogP2.23
Rot. Bonds5

About (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid

(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid (PubChem CID 164642156) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
PubChem CID164642156
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Name(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid
SMILESCC(C)Cc1ccc(CN2CCO[C@H](C(=O)O)C2)s1
InChIInChI=1S/C14H21NO3S/c1-10(2)7-11-3-4-12(19-11)8-15-5-6-18-13(9-15)14(16)17/h3-4,10,13H,5-9H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyJGDZNTYSTPGUMF-ZDUSSCGKSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4,4-Bis(5-methylthiophen-2-yl)but-3-enyl]morpholine-2-carboxylic acid
CID 53322546
1-[(2S)-1,4-dioxan-2-yl]-N-methyl-N-[[5-(2-methylpropyl)thiophen-2-yl]methyl]methanamine
CID 99949765
4-(Thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 16243997
2-Hydroxy-3-{isobutyl[(5-methyl-2-thienyl)methyl]amino}propyl butyrate
CID 24713490
(2S)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441027
(2R)-4-(thiophen-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441029
3-[Cyclopropyl(thiophen-2-ylmethyl)amino]-2-ethoxypropanoic acid
CID 55146140
2-Ethoxy-3-[methyl(1-thiophen-2-ylethyl)amino]propanoic acid
CID 55147094
2-[1-(Thiophen-2-ylmethyl)piperidin-4-yl]oxyacetic acid
CID 55252467
2-[4-[(5-Cyclopentylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 56886680
4-(1-Benzothien-2-ylmethyl)-2-morpholinecarboxylic acid
CID 56892703
4-[(5-Chlorothiophen-2-yl)methyl]morpholine-2-carboxylic acid
CID 61735604

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid (CID 164642156) is (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid is CC(C)Cc1ccc(CN2CCO[C@H](C(=O)O)C2)s1.
What is the InChIKey of (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid?
The InChIKey is JGDZNTYSTPGUMF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-10(2)7-11-3-4-12(19-11)8-15-5-6-18-13(9-15)14(16)17/h3-4,10,13H,5-9H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid?
(2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid has a molecular weight of 283.39 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[5-(2-methylpropyl)thiophen-2-yl]methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 164642156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).