2-formamidooxolane-2-carboxylic acid

C6H9NO4 — CID 142369386

IUPAC2-formamidooxolane-2-carboxylic acid
SMILESO=CNC1(C(=O)O)CCCO1
InChIInChI=1S/C6H9NO4/c8-4-7-6(5(9)10)2-1-3-11-6/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeySNBRWILDPFEKCK-UHFFFAOYSA-N
MW159.14 g/mol
LogP-0.68
Rot. Bonds3

About 2-formamidooxolane-2-carboxylic acid

2-formamidooxolane-2-carboxylic acid (PubChem CID 142369386) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-formamidooxolane-2-carboxylic acid.

Molecular Properties

Compound Name2-formamidooxolane-2-carboxylic acid
PubChem CID142369386
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-formamidooxolane-2-carboxylic acid
SMILESO=CNC1(C(=O)O)CCCO1
InChIInChI=1S/C6H9NO4/c8-4-7-6(5(9)10)2-1-3-11-6/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeySNBRWILDPFEKCK-UHFFFAOYSA-N
XLogP-0.68
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-formamidocyclohexane-1-carboxylic acid
CID 61147418
2-benzamidooxane-2-carboxylic acid
CID 141498515
oxolane-2,2-dicarboxylic acid;hydrochloride
CID 69015616
2-formyloxane-2-carboxylic acid
CID 141434966
2-(1-formamidocyclopentyl)acetic acid
CID 64672964
methyl 2-methyloxolane-2-carboxylate;2-methyloxolane-2-carboxylic acid
CID 161258796
1-[(2S)-2-prop-2-enoxyoxolan-2-yl]prop-2-en-1-one
CID 102374807
3-formamido-1,1-dioxothiolane-3-carboxylic acid
CID 63689317
(5R,7S)-1,8-dioxaspiro[4.5]decane-7-carboxylic acid
CID 130933893
2-formamido-8-oxabicyclo[3.2.1]octane-2-carboxylic acid
CID 131062721
N-(1-methylcyclobutyl)formamide
CID 54210121
5-oxaspiro[3.4]octane-2-carboxylic acid
CID 56962178

Frequently Asked Questions

What is the IUPAC name of 2-formamidooxolane-2-carboxylic acid?
The IUPAC name of 2-formamidooxolane-2-carboxylic acid (CID 142369386) is 2-formamidooxolane-2-carboxylic acid.
What is the SMILES notation for 2-formamidooxolane-2-carboxylic acid?
The canonical SMILES for 2-formamidooxolane-2-carboxylic acid is O=CNC1(C(=O)O)CCCO1.
What is the InChIKey of 2-formamidooxolane-2-carboxylic acid?
The InChIKey is SNBRWILDPFEKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-4-7-6(5(9)10)2-1-3-11-6/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-formamidooxolane-2-carboxylic acid?
2-formamidooxolane-2-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamidooxolane-2-carboxylic acid is sourced from PubChem (CID 142369386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).