ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate

C11H14ClNO4S — CID 124854439

IUPACethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO4S/c1-2-17-11(16)8(6-14)13-10(15)5-7-3-4-9(12)18-7/h3-4,8,14H,2,5-6H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyXHWJDBRXCWRGMG-QMMMGPOBSA-N
MW291.76 g/mol
LogP0.98
Rot. Bonds6

About ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate

ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate (PubChem CID 124854439) has the molecular formula C11H14ClNO4S and a molecular weight of 291.76 g/mol. Its IUPAC name is ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
PubChem CID124854439
Molecular FormulaC11H14ClNO4S
Molecular Weight291.76 g/mol
Exact Mass291.03
IUPAC Nameethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(=O)Cc1ccc(Cl)s1
InChIInChI=1S/C11H14ClNO4S/c1-2-17-11(16)8(6-14)13-10(15)5-7-3-4-9(12)18-7/h3-4,8,14H,2,5-6H2,1H3,(H,13,15)/t8-/m0/s1
InChIKeyXHWJDBRXCWRGMG-QMMMGPOBSA-N
XLogP0.98
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]propanoic acid
CID 98015763
ethyl 2-[(5-chlorothiophen-2-yl)methylamino]pentanoate
CID 79040384
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
ethyl 2-[2-(5-chlorothiophen-2-yl)ethylamino]butanoate
CID 106036934
ethyl 2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]propanoate
CID 47368145
2-(5-chlorothiophen-2-yl)-N-(2-methylpropyl)acetamide
CID 110767654
3-(5-chlorothiophen-2-yl)-N-(1-hydroxypropan-2-yl)propanamide
CID 78888236
diethyl 2-[(5-chlorothiophene-2-carbonyl)amino]propanedioate
CID 33241351
2-[[2-[(5-chlorothiophen-2-yl)methylsulfanyl]acetyl]amino]-3-hydroxypropanoic acid
CID 43171672
ethyl (2S)-3-hydroxy-2-(2-methylpropanoylamino)propanoate
CID 59016112
1-(5-chlorothiophen-2-yl)-3-ethoxypentan-2-one
CID 116707702
ethyl 2-acetamido-3-hydroxypropanoate
CID 14420231

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate (CID 124854439) is ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate is CCOC(=O)[C@H](CO)NC(=O)Cc1ccc(Cl)s1.
What is the InChIKey of ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate?
The InChIKey is XHWJDBRXCWRGMG-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO4S/c1-2-17-11(16)8(6-14)13-10(15)5-7-3-4-9(12)18-7/h3-4,8,14H,2,5-6H2,1H3,(H,13,15)/t8-/m0/s1.
What are the key properties of ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate?
ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate has a molecular weight of 291.76 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[2-(5-chlorothiophen-2-yl)acetyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 124854439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).