1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C14H20N4O3S — CID 120798506

IUPAC1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)O1
InChIInChI=1S/C14H20N4O3S/c15-8-9-3-4-11(21-9)13(20)18-6-1-2-10(18)12(19)17-14-16-5-7-22-14/h5,7,9-11H,1-4,6,8,15H2,(H,16,17,19)/t9-,10?,11+/m1/s1
InChIKeyCVJXEMZEHGVBRR-FBKFWFMHSA-N
MW324.41 g/mol
LogP0.58
Rot. Bonds4

About 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 120798506) has the molecular formula C14H20N4O3S and a molecular weight of 324.41 g/mol. Its IUPAC name is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID120798506
Molecular FormulaC14H20N4O3S
Molecular Weight324.41 g/mol
Exact Mass324.13
IUPAC Name1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)O1
InChIInChI=1S/C14H20N4O3S/c15-8-9-3-4-11(21-9)13(20)18-6-1-2-10(18)12(19)17-14-16-5-7-22-14/h5,7,9-11H,1-4,6,8,15H2,(H,16,17,19)/t9-,10?,11+/m1/s1
InChIKeyCVJXEMZEHGVBRR-FBKFWFMHSA-N
XLogP0.58
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 120798506) is 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is NC[C@H]1CC[C@@H](C(=O)N2CCCC2C(=O)Nc2nccs2)O1.
What is the InChIKey of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CVJXEMZEHGVBRR-FBKFWFMHSA-N. The full InChI is InChI=1S/C14H20N4O3S/c15-8-9-3-4-11(21-9)13(20)18-6-1-2-10(18)12(19)17-14-16-5-7-22-14/h5,7,9-11H,1-4,6,8,15H2,(H,16,17,19)/t9-,10?,11+/m1/s1.
What are the key properties of 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 120798506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).