oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine

C9H15NO5 — CID 122360122

IUPACoxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
SMILESNC1CC1C1CCCO1.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO.C2H2O4/c8-6-4-5(6)7-2-1-3-9-7;3-1(4)2(5)6/h5-7H,1-4,8H2;(H,3,4)(H,5,6)
InChIKeyHXMJGVYKDQYCFA-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.33
Rot. Bonds1

About oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine

oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine (PubChem CID 122360122) has the molecular formula C9H15NO5 and a molecular weight of 217.22 g/mol. Its IUPAC name is oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Nameoxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
PubChem CID122360122
Molecular FormulaC9H15NO5
Molecular Weight217.22 g/mol
Exact Mass217.10
IUPAC Nameoxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine
SMILESNC1CC1C1CCCO1.O=C(O)C(=O)O
InChIInChI=1S/C7H13NO.C2H2O4/c8-6-4-5(6)7-2-1-3-9-7;3-1(4)2(5)6/h5-7H,1-4,8H2;(H,3,4)(H,5,6)
InChIKeyHXMJGVYKDQYCFA-UHFFFAOYSA-N
XLogP-0.33
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(oxolan-2-yl)cyclopropane-1-carboxylic acid
CID 82836902
2-(oxolan-2-yl)cyclopentan-1-amine
CID 45098422
(1S,6S,7S)-2-oxabicyclo[4.2.0]octan-7-amine
CID 97308025
(1S,6R)-2-oxabicyclo[4.2.0]octan-7-amine
CID 136589254
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-amine
CID 82418057
2-[(3aR,4S,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]acetic acid
CID 124676375
oxalic acid;platinum(2+);trans-(1S,2S)-cyclohexane-1,2-diamine
CID 163285607
cyclohexane-1,2-diamine;oxalic acid;platinum(2+)
CID 6394767
5-(oxolan-2-yl)oxolane-2-carboxylic acid
CID 71756387
2-oxabicyclo[4.2.0]octan-7-ylmethanol
CID 84716262
2-(oxiran-2-yl)oxolane
CID 18759351
3-(2-aminooxan-3-yl)propanoic acid
CID 141000194

Frequently Asked Questions

What is the IUPAC name of oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine?
The IUPAC name of oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine (CID 122360122) is oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine.
What is the SMILES notation for oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine?
The canonical SMILES for oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine is NC1CC1C1CCCO1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine?
The InChIKey is HXMJGVYKDQYCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H2O4/c8-6-4-5(6)7-2-1-3-9-7;3-1(4)2(5)6/h5-7H,1-4,8H2;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine?
oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine has a molecular weight of 217.22 g/mol, XLogP of -0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;2-(oxolan-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 122360122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).