4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid

C10H17N3O5 — CID 66236826

IUPAC4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(CCC(=O)NC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H17N3O5/c1-13(3-2-8(14)12-10(11)17)7-5-18-4-6(7)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,11,12,14,17)
InChIKeyDBHUIIKVOXWOEJ-UHFFFAOYSA-N
MW259.26 g/mol
LogP-1.40
Rot. Bonds5

About 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid

4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66236826) has the molecular formula C10H17N3O5 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66236826
Molecular FormulaC10H17N3O5
Molecular Weight259.26 g/mol
Exact Mass259.12
IUPAC Name4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(CCC(=O)NC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C10H17N3O5/c1-13(3-2-8(14)12-10(11)17)7-5-18-4-6(7)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,11,12,14,17)
InChIKeyDBHUIIKVOXWOEJ-UHFFFAOYSA-N
XLogP-1.40
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 5-1.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[methyl(3-methylsulfonylpropyl)amino]oxolane-3-carboxylic acid
CID 66236203
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
CID 66251302
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66267848
4-[methyl(3-phenylpropyl)amino]oxolane-3-carboxylic acid
CID 66235785
4-[2-(carbamoylamino)ethylcarbamoyl-methylamino]oxolane-3-carboxylic acid
CID 83113561
4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
CID 66247672
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66235178
4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid (CID 66236826) is 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid is CN(CCC(=O)NC(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is DBHUIIKVOXWOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O5/c1-13(3-2-8(14)12-10(11)17)7-5-18-4-6(7)9(15)16/h6-7H,2-5H2,1H3,(H,15,16)(H3,11,12,14,17).
What are the key properties of 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid?
4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of -1.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66236826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).