oxalic acid;pyrrolidin-3-ylcarbamic acid

C7H12N2O6 — CID 66616538

IUPACoxalic acid;pyrrolidin-3-ylcarbamic acid
SMILESO=C(O)C(=O)O.O=C(O)NC1CCNC1
InChIInChI=1S/C5H10N2O2.C2H2O4/c8-5(9)7-4-1-2-6-3-4;3-1(4)2(5)6/h4,6-7H,1-3H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyVGBBTZGWUUUILW-UHFFFAOYSA-N
MW220.18 g/mol
LogP-1.23
Rot. Bonds1

About oxalic acid;pyrrolidin-3-ylcarbamic acid

oxalic acid;pyrrolidin-3-ylcarbamic acid (PubChem CID 66616538) has the molecular formula C7H12N2O6 and a molecular weight of 220.18 g/mol. Its IUPAC name is oxalic acid;pyrrolidin-3-ylcarbamic acid.

Molecular Properties

Compound Nameoxalic acid;pyrrolidin-3-ylcarbamic acid
PubChem CID66616538
Molecular FormulaC7H12N2O6
Molecular Weight220.18 g/mol
Exact Mass220.07
IUPAC Nameoxalic acid;pyrrolidin-3-ylcarbamic acid
SMILESO=C(O)C(=O)O.O=C(O)NC1CCNC1
InChIInChI=1S/C5H10N2O2.C2H2O4/c8-5(9)7-4-1-2-6-3-4;3-1(4)2(5)6/h4,6-7H,1-3H2,(H,8,9);(H,3,4)(H,5,6)
InChIKeyVGBBTZGWUUUILW-UHFFFAOYSA-N
XLogP-1.23
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze oxalic acid;pyrrolidin-3-ylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
1-pyrrolidin-3-yl-3-[(3R)-pyrrolidin-3-yl]urea
CID 66630468
1-cyclopropyl-3-[(3R)-pyrrolidin-3-yl]urea
CID 79686058
N-[(3R)-pyrrolidin-3-yl]piperidine-4-carboxamide
CID 91470745
1-cyclobutyl-3-pyrrolidin-3-ylurea
CID 116658204
ethyl N-pyrrolidin-3-ylcarbamate
CID 11321104
[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
CID 68560075
1-cyclohexyl-3-[(3S)-pyrrolidin-3-yl]urea
CID 79685110
2,2-dimethyl-N-[(3R)-pyrrolidin-3-yl]propanamide
CID 58468710
N-pyrrolidin-3-ylpropanamide
CID 18337238
3,3,3-trifluoro-2-methyl-N-pyrrolidin-3-ylpropanamide
CID 119449946
ethyl N-[(3R)-pyrrolidin-3-yl]carbamate;hydrochloride
CID 118918439

Frequently Asked Questions

What is the IUPAC name of oxalic acid;pyrrolidin-3-ylcarbamic acid?
The IUPAC name of oxalic acid;pyrrolidin-3-ylcarbamic acid (CID 66616538) is oxalic acid;pyrrolidin-3-ylcarbamic acid.
What is the SMILES notation for oxalic acid;pyrrolidin-3-ylcarbamic acid?
The canonical SMILES for oxalic acid;pyrrolidin-3-ylcarbamic acid is O=C(O)C(=O)O.O=C(O)NC1CCNC1.
What is the InChIKey of oxalic acid;pyrrolidin-3-ylcarbamic acid?
The InChIKey is VGBBTZGWUUUILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2.C2H2O4/c8-5(9)7-4-1-2-6-3-4;3-1(4)2(5)6/h4,6-7H,1-3H2,(H,8,9);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;pyrrolidin-3-ylcarbamic acid?
oxalic acid;pyrrolidin-3-ylcarbamic acid has a molecular weight of 220.18 g/mol, XLogP of -1.23, 1 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;pyrrolidin-3-ylcarbamic acid is sourced from PubChem (CID 66616538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).