4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid

C12H21N3O5 — CID 66251302

IUPAC4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)C(=O)NC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-4-15(7(2)10(16)14-12(13)19)9-6-20-5-8(9)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19)
InChIKeyBZMPMGHCAZHWPM-UHFFFAOYSA-N
MW287.32 g/mol
LogP-0.62
Rot. Bonds6

About 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid

4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid (PubChem CID 66251302) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
PubChem CID66251302
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(C)C(=O)NC(N)=O)C1COCC1C(=O)O
InChIInChI=1S/C12H21N3O5/c1-3-4-15(7(2)10(16)14-12(13)19)9-6-20-5-8(9)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19)
InChIKeyBZMPMGHCAZHWPM-UHFFFAOYSA-N
XLogP-0.62
TPSA121.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-0.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid with MolForge

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Related Compounds

4-[4-methoxybutan-2-yl(propyl)amino]oxolane-3-carboxylic acid
CID 66251760
4-[1-cyclopentylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252512
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
CID 66236826
4-[2-(carbamoylamino)ethylcarbamoyl-propylamino]oxolane-3-carboxylic acid
CID 83113841
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
CID 66246693
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[(3-methylcyclobutyl)-propylamino]oxolane-3-carboxylic acid
CID 103565205
4-[propyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252141
4-[propyl(1-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66252339

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid (CID 66251302) is 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid is CCCN(C(C)C(=O)NC(N)=O)C1COCC1C(=O)O.
What is the InChIKey of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid?
The InChIKey is BZMPMGHCAZHWPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-3-4-15(7(2)10(16)14-12(13)19)9-6-20-5-8(9)11(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)(H3,13,14,16,19).
What are the key properties of 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid?
4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -0.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(carbamoylamino)-1-oxopropan-2-yl]-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66251302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).