3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid

C12H21NO4 — CID 79928655

IUPAC3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H21NO4/c1-6-13(8-14)12(9(15)16)7-10(2,3)17-11(12,4)5/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyMQPKDCUVGSHCRL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.27
Rot. Bonds4

About 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid

3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid (PubChem CID 79928655) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid
PubChem CID79928655
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Name3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid
SMILESCCN(C=O)C1(C(=O)O)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H21NO4/c1-6-13(8-14)12(9(15)16)7-10(2,3)17-11(12,4)5/h8H,6-7H2,1-5H3,(H,15,16)
InChIKeyMQPKDCUVGSHCRL-UHFFFAOYSA-N
XLogP1.27
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[ethyl(formyl)amino]-4,4-dimethylcycloheptane-1-carboxylic acid
CID 65085716
2-[4-(diethylamino)-2,2-dimethyloxan-4-yl]acetic acid
CID 64526617
1-[ethyl(formyl)amino]-3-methylcyclopentane-1-carboxylic acid
CID 64513811
1-[formyl(propyl)amino]cyclopropane-1-carboxylic acid
CID 103439535
acetic acid;N,N-diethylformamide
CID 172752961
1,3,3-trimethyl-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid
CID 136575877
4-(2-hydroxyethoxy)-2,2-dimethyloxane-4-carboxylic acid
CID 103377682
3-[ethyl(formyl)amino]-2-methylthiane-3-carboxylic acid
CID 79952048
1-[ethyl(formyl)amino]-2-methylsulfonylcyclopentane-1-carboxylic acid
CID 65045194
2-[ethyl(formyl)amino]-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 55231808
1-[ethyl(formyl)amino]-4-fluoro-2,3-dihydroindene-1-carboxylic acid
CID 83066334
1-[formyl(propyl)amino]-3-methoxycyclobutane-1-carboxylic acid
CID 106822748

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid?
The IUPAC name of 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid (CID 79928655) is 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid.
What is the SMILES notation for 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid?
The canonical SMILES for 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid is CCN(C=O)C1(C(=O)O)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid?
The InChIKey is MQPKDCUVGSHCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-6-13(8-14)12(9(15)16)7-10(2,3)17-11(12,4)5/h8H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid?
3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid has a molecular weight of 243.30 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(formyl)amino]-2,2,5,5-tetramethyloxolane-3-carboxylic acid is sourced from PubChem (CID 79928655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).