2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid

C9H16N2O3S — CID 80539990

IUPAC2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
SMILESCC(CCNC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-6(9(13)14)2-3-10-8(12)7-4-15-5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyQAXDISICIQWDCU-UHFFFAOYSA-N
MW232.30 g/mol
LogP-0.12
Rot. Bonds5

About 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid

2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid (PubChem CID 80539990) has the molecular formula C9H16N2O3S and a molecular weight of 232.30 g/mol. Its IUPAC name is 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
PubChem CID80539990
Molecular FormulaC9H16N2O3S
Molecular Weight232.30 g/mol
Exact Mass232.09
IUPAC Name2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid
SMILESCC(CCNC(=O)C1CSCN1)C(=O)O
InChIInChI=1S/C9H16N2O3S/c1-6(9(13)14)2-3-10-8(12)7-4-15-5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14)
InChIKeyQAXDISICIQWDCU-UHFFFAOYSA-N
XLogP-0.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2-methylpropyl)-1,3-thiazolidine-4-carboxamide
CID 65036326
(4S)-N-(2-acetamidoethyl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119268318
N-(2-bromoethyl)-1,3-thiazolidine-4-carboxamide
CID 154729350
2-methyl-4-[(2-oxo-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 80539296
(2S)-2-(1,3-thiazolidine-4-carbonylamino)pentanoic acid
CID 107565112
N-(2-methylsulfinylethyl)-1,3-thiazolidine-4-carboxamide
CID 115734124
2-methyl-3-(thiomorpholine-3-carbonylamino)propanoic acid
CID 82908166
2-[[(4R)-1,3-thiazolidine-4-carbonyl](15N)amino]acetic acid
CID 171381409
methyl (2S)-2-amino-6-[[(4R)-1,3-thiazolidine-4-carbonyl]amino]hexanoate
CID 132961566
N-(3-amino-3-oxopropyl)-1,3-thiazolidine-4-carboxamide
CID 43553640
(4S)-N-[3-(dimethylamino)-3-oxopropyl]-1,3-thiazolidine-4-carboxamide
CID 93356367
N-[2-(diethylamino)ethyl]-1,3-thiazolidine-4-carboxamide
CID 24692990

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The IUPAC name of 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid (CID 80539990) is 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid.
What is the SMILES notation for 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The canonical SMILES for 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid is CC(CCNC(=O)C1CSCN1)C(=O)O.
What is the InChIKey of 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
The InChIKey is QAXDISICIQWDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3S/c1-6(9(13)14)2-3-10-8(12)7-4-15-5-11-7/h6-7,11H,2-5H2,1H3,(H,10,12)(H,13,14).
What are the key properties of 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid?
2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid has a molecular weight of 232.30 g/mol, XLogP of -0.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1,3-thiazolidine-4-carbonylamino)butanoic acid is sourced from PubChem (CID 80539990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).