2-carbamoyl-3-methyloxetane-3-carboxylic acid

C6H9NO4 — CID 90893333

IUPAC2-carbamoyl-3-methyloxetane-3-carboxylic acid
SMILESCC1(C(=O)O)COC1C(N)=O
InChIInChI=1S/C6H9NO4/c1-6(5(9)10)2-11-3(6)4(7)8/h3H,2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyKVZGZPLUEOOCJC-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.04
Rot. Bonds2

About 2-carbamoyl-3-methyloxetane-3-carboxylic acid

2-carbamoyl-3-methyloxetane-3-carboxylic acid (PubChem CID 90893333) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-carbamoyl-3-methyloxetane-3-carboxylic acid.

Molecular Properties

Compound Name2-carbamoyl-3-methyloxetane-3-carboxylic acid
PubChem CID90893333
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-carbamoyl-3-methyloxetane-3-carboxylic acid
SMILESCC1(C(=O)O)COC1C(N)=O
InChIInChI=1S/C6H9NO4/c1-6(5(9)10)2-11-3(6)4(7)8/h3H,2H2,1H3,(H2,7,8)(H,9,10)
InChIKeyKVZGZPLUEOOCJC-UHFFFAOYSA-N
XLogP-1.04
TPSA89.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 11252443
(1R)-1,2-dimethylcyclopropane-1-carboxylic acid
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2-carbamoyl-1-methylcyclohexane-1-carboxylic acid
CID 151708609
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
CID 92980128
4-[(2,4-diamino-4-oxobutanoyl)amino]-3-methyloxolane-3-carboxylic acid
CID 66248351
carbamic acid;N,N-dimethylmethanamine
CID 173358065
(3S,5S)-3,5-dimethyloxolane-3-carboxylic acid
CID 125452595
trans-(1S,2R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 55284582
(1R)-2-amino-1-methylcyclopentane-1-carboxylic acid
CID 129318014
carbonic acid;oxirane-2-carboxamide
CID 87800333

Frequently Asked Questions

What is the IUPAC name of 2-carbamoyl-3-methyloxetane-3-carboxylic acid?
The IUPAC name of 2-carbamoyl-3-methyloxetane-3-carboxylic acid (CID 90893333) is 2-carbamoyl-3-methyloxetane-3-carboxylic acid.
What is the SMILES notation for 2-carbamoyl-3-methyloxetane-3-carboxylic acid?
The canonical SMILES for 2-carbamoyl-3-methyloxetane-3-carboxylic acid is CC1(C(=O)O)COC1C(N)=O.
What is the InChIKey of 2-carbamoyl-3-methyloxetane-3-carboxylic acid?
The InChIKey is KVZGZPLUEOOCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-6(5(9)10)2-11-3(6)4(7)8/h3H,2H2,1H3,(H2,7,8)(H,9,10).
What are the key properties of 2-carbamoyl-3-methyloxetane-3-carboxylic acid?
2-carbamoyl-3-methyloxetane-3-carboxylic acid has a molecular weight of 159.14 g/mol, XLogP of -1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamoyl-3-methyloxetane-3-carboxylic acid is sourced from PubChem (CID 90893333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).