3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

C10H19N3O3 — CID 64891101

IUPAC3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H19N3O3/c1-7(2)13-8(14)5-12-9(15)10(11)3-4-16-6-10/h7H,3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCRWAMGUGJYTWOT-UHFFFAOYSA-N
MW229.28 g/mol
LogP-1.25
Rot. Bonds4

About 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide

3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (PubChem CID 64891101) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
PubChem CID64891101
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide
SMILESCC(C)NC(=O)CNC(=O)C1(N)CCOC1
InChIInChI=1S/C10H19N3O3/c1-7(2)13-8(14)5-12-9(15)10(11)3-4-16-6-10/h7H,3-6,11H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyCRWAMGUGJYTWOT-UHFFFAOYSA-N
XLogP-1.25
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide (CID 64891101) is 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is CC(C)NC(=O)CNC(=O)C1(N)CCOC1.
What is the InChIKey of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
The InChIKey is CRWAMGUGJYTWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-7(2)13-8(14)5-12-9(15)10(11)3-4-16-6-10/h7H,3-6,11H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide?
3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide has a molecular weight of 229.28 g/mol, XLogP of -1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-oxo-2-(propan-2-ylamino)ethyl]oxolane-3-carboxamide is sourced from PubChem (CID 64891101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).