2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid

C14H22N2O5S — CID 120547503

IUPAC2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H22N2O5S/c1-2-11(17)16-8-22-7-10(16)13(18)15-12(14(19)20)9-4-3-5-21-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyQOQLGPPEFOZLQK-UHFFFAOYSA-N
MW330.41 g/mol
LogP0.29
Rot. Bonds5

About 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid

2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid (PubChem CID 120547503) has the molecular formula C14H22N2O5S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
PubChem CID120547503
Molecular FormulaC14H22N2O5S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid
SMILESCCC(=O)N1CSCC1C(=O)NC(C(=O)O)C1CCCOC1
InChIInChI=1S/C14H22N2O5S/c1-2-11(17)16-8-22-7-10(16)13(18)15-12(14(19)20)9-4-3-5-21-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20)
InChIKeyQOQLGPPEFOZLQK-UHFFFAOYSA-N
XLogP0.29
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]propanoic acid
CID 119225257
(2S)-3-methyl-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]butanoic acid
CID 119359474
5-cyclohexyl-4-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]pentanoic acid
CID 122056748
2-(oxan-3-yl)-2-[(4-propan-2-ylcyclohexanecarbonyl)amino]acetic acid
CID 120547811
2-[(2,2-dimethylcyclopropanecarbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548446
2-(oxan-3-yl)-2-(oxolane-2-carbonylamino)acetic acid
CID 120548683
cis-(1S,3R)-3-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120675827
N-[(2S)-1-aminopropan-2-yl]-3-propanoyl-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 120508830
(2R)-2-(methoxycarbonylamino)-2-(oxan-3-yl)acetic acid
CID 67007770
2-(2-ethoxypropanoylamino)-2-(oxan-3-yl)acetic acid
CID 120549024
2-(oxan-3-yl)-2-(pent-4-enoylamino)acetic acid
CID 120549003
2-(3-methylhexanoylamino)-2-(oxan-3-yl)acetic acid
CID 120547953

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The IUPAC name of 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid (CID 120547503) is 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The canonical SMILES for 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid is CCC(=O)N1CSCC1C(=O)NC(C(=O)O)C1CCCOC1.
What is the InChIKey of 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
The InChIKey is QOQLGPPEFOZLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5S/c1-2-11(17)16-8-22-7-10(16)13(18)15-12(14(19)20)9-4-3-5-21-6-9/h9-10,12H,2-8H2,1H3,(H,15,18)(H,19,20).
What are the key properties of 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid?
2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid has a molecular weight of 330.41 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-2-[(3-propanoyl-1,3-thiazolidine-4-carbonyl)amino]acetic acid is sourced from PubChem (CID 120547503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).