methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate

C9H16N2O3S — CID 124581511

IUPACmethyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1
InChIInChI=1S/C9H16N2O3S/c1-6-11-7(5-15-6)9(13)10-4-3-8(12)14-2/h6-7,11H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1
InChIKeyFWRHVNGHMPEEOH-NKWVEPMBSA-N
MW232.30 g/mol
LogP-0.28
Rot. Bonds4

About methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate

methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate (PubChem CID 124581511) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
PubChem CID124581511
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Namemethyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1
InChIInChI=1S/C9H16N2O3S/c1-6-11-7(5-15-6)9(13)10-4-3-8(12)14-2/h6-7,11H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1
InChIKeyFWRHVNGHMPEEOH-NKWVEPMBSA-N
XLogP-0.28
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

2-[(2-methyl-1,3-thiazolidine-4-carbonyl)amino]butanedioic acid
CID 70414980
2-methyl-1,3-thiazolidine-4-carboxamide
CID 18505122
6-[(3-methoxy-3-oxopropyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 43222523
methyl 3-[[(1S,2R)-2-(4-bromophenyl)cyclopropanecarbonyl]amino]propanoate
CID 95271586
N-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 113264034
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209
methyl 3-[(2-sulfanylacetyl)amino]propanoate
CID 87900240
methyl 3-[(2R)-thiiran-2-yl]propanoate
CID 101021793
methyl 3-[(2-aminoacetyl)amino]propanoate
CID 60672581
methyl 3-(3-oxobutanoylamino)propanoate
CID 61249216
methyl 3-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]propanoate;hydrochloride
CID 67874407
N-[3-(2-methoxyethylamino)-3-oxopropyl]thiomorpholine-3-carboxamide
CID 113410105

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate (CID 124581511) is methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate is COC(=O)CCNC(=O)[C@H]1CS[C@@H](C)N1.
What is the InChIKey of methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate?
The InChIKey is FWRHVNGHMPEEOH-NKWVEPMBSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6-11-7(5-15-6)9(13)10-4-3-8(12)14-2/h6-7,11H,3-5H2,1-2H3,(H,10,13)/t6-,7+/m0/s1.
What are the key properties of methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate?
methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate has a molecular weight of 232.30 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S,4S)-2-methyl-1,3-thiazolidine-4-carbonyl]amino]propanoate is sourced from PubChem (CID 124581511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).