4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid

C11H21N3O4 — CID 66239576

IUPAC4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(CNC(=O)NC1COCC1C(=O)O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-7(14(2)3)4-12-11(17)13-9-6-18-5-8(9)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyCMBQFWBZCVSYMF-UHFFFAOYSA-N
MW259.31 g/mol
LogP-0.66
Rot. Bonds5

About 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid

4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid (PubChem CID 66239576) has the molecular formula C11H21N3O4 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
PubChem CID66239576
Molecular FormulaC11H21N3O4
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC Name4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid
SMILESCC(CNC(=O)NC1COCC1C(=O)O)N(C)C
InChIInChI=1S/C11H21N3O4/c1-7(14(2)3)4-12-11(17)13-9-6-18-5-8(9)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17)
InChIKeyCMBQFWBZCVSYMF-UHFFFAOYSA-N
XLogP-0.66
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(dimethylamino)propylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64816743
4-[(1-propan-2-ylcyclopropyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 114114326
4-[4-(dimethylamino)butylcarbamoylamino]oxolane-3-carboxylic acid
CID 66240170
4-[[1-hydroxypropan-2-yl(methyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 104553066
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239563
4-[(2-methoxy-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66238536
4-[(2-amino-2-oxoethyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66241326
4-(2-methylsulfanylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241373
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-[[2-(cyclopropylamino)-2-oxoethyl]carbamoylamino]oxolane-3-carboxylic acid
CID 66239754
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid (CID 66239576) is 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid is CC(CNC(=O)NC1COCC1C(=O)O)N(C)C.
What is the InChIKey of 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
The InChIKey is CMBQFWBZCVSYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O4/c1-7(14(2)3)4-12-11(17)13-9-6-18-5-8(9)10(15)16/h7-9H,4-6H2,1-3H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid?
4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)propylcarbamoylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).