3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

C10H14N4O3S — CID 107324218

IUPAC3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C10H14N4O3S/c11-10(8(16)17)1-3-14(6-10)5-7(15)13-9-12-2-4-18-9/h2,4H,1,3,5-6,11H2,(H,16,17)(H,12,13,15)
InChIKeyMLTVXSMAOAKKFI-UHFFFAOYSA-N
MW270.31 g/mol
LogP-0.43
Rot. Bonds4

About 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid

3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 107324218) has the molecular formula C10H14N4O3S and a molecular weight of 270.31 g/mol. Its IUPAC name is 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID107324218
Molecular FormulaC10H14N4O3S
Molecular Weight270.31 g/mol
Exact Mass270.08
IUPAC Name3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC1(C(=O)O)CCN(CC(=O)Nc2nccs2)C1
InChIInChI=1S/C10H14N4O3S/c11-10(8(16)17)1-3-14(6-10)5-7(15)13-9-12-2-4-18-9/h2,4H,1,3,5-6,11H2,(H,16,17)(H,12,13,15)
InChIKeyMLTVXSMAOAKKFI-UHFFFAOYSA-N
XLogP-0.43
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidine-3-carboxylic acid
CID 63137210
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 78962803
2-[(3S)-3-methylpiperazin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 104976722
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 81491285
N-(1,3-thiazol-2-yl)-2-[4-(trifluoromethyl)piperidin-1-yl]acetamide
CID 171704376
3-amino-1-[2-(2,4-dimethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324469
3-amino-1-[2-(3-chloro-4-methylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107325039
3-amino-1-(2-benzamido-2-oxoethyl)pyrrolidine-3-carboxylic acid
CID 107324258
3-amino-1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 107324880
2-[(3R)-3-pyridin-4-ylpiperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 125143187
(3R)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidine-3-carboxamide
CID 25490937
2-[4-[2-(diethylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 146131791

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid (CID 107324218) is 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is NC1(C(=O)O)CCN(CC(=O)Nc2nccs2)C1.
What is the InChIKey of 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is MLTVXSMAOAKKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3S/c11-10(8(16)17)1-3-14(6-10)5-7(15)13-9-12-2-4-18-9/h2,4H,1,3,5-6,11H2,(H,16,17)(H,12,13,15).
What are the key properties of 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid?
3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of -0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 107324218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).