4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid

C15H28N2O4 — CID 79482624

IUPAC4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCC(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-11(4)8-16(6-2)15(20)17(7-3)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyQDUVMQZNJRQMAZ-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.90
Rot. Bonds7

About 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid (PubChem CID 79482624) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
PubChem CID79482624
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
SMILESCCC(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C15H28N2O4/c1-5-11(4)8-16(6-2)15(20)17(7-3)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19)
InChIKeyQDUVMQZNJRQMAZ-UHFFFAOYSA-N
XLogP1.90
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341
4-[[2-cyanopropyl(methyl)carbamoyl]-ethylamino]oxolane-3-carboxylic acid
CID 66245749
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[[cyclopropylmethyl(ethyl)carbamoyl]-propylamino]oxolane-3-carboxylic acid
CID 66253895
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl-[methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66246552
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid (CID 79482624) is 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid is CCC(C)CN(CC)C(=O)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid?
The InChIKey is QDUVMQZNJRQMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-11(4)8-16(6-2)15(20)17(7-3)13-10-21-9-12(13)14(18)19/h11-13H,5-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 79482624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).