1-(propylamino)propan-2-yl oxolane-2-carboxylate

C11H21NO3 — CID 82532677

IUPAC1-(propylamino)propan-2-yl oxolane-2-carboxylate
SMILESCCCNCC(C)OC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-6-12-8-9(2)15-11(13)10-5-4-7-14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyAFVKAKWTYZLPNM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds6

About 1-(propylamino)propan-2-yl oxolane-2-carboxylate

1-(propylamino)propan-2-yl oxolane-2-carboxylate (PubChem CID 82532677) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 1-(propylamino)propan-2-yl oxolane-2-carboxylate.

Molecular Properties

Compound Name1-(propylamino)propan-2-yl oxolane-2-carboxylate
PubChem CID82532677
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name1-(propylamino)propan-2-yl oxolane-2-carboxylate
SMILESCCCNCC(C)OC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-3-6-12-8-9(2)15-11(13)10-5-4-7-14-10/h9-10,12H,3-8H2,1-2H3
InChIKeyAFVKAKWTYZLPNM-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butan-2-yl oxolane-2-carboxylate
CID 134916565
1-(propylamino)propan-2-yl cyclobutanecarboxylate
CID 82532634
2-(propylamino)ethyl oxolane-2-carboxylate
CID 82532815
3-(propylamino)propyl oxolane-2-carboxylate
CID 82532736
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
1-cyanoethyl oxolane-2-carboxylate
CID 130634769
[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] (2S)-oxolane-2-carboxylate
CID 1431917
2-(butylamino)butyl oxolane-2-carboxylate
CID 82532215
ethyl 3-methyl-2-(oxolane-2-carbonyl)butanoate
CID 65328489
hexane;methanol;oxolane-2-carboxylic acid
CID 70354682
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747

Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)propan-2-yl oxolane-2-carboxylate?
The IUPAC name of 1-(propylamino)propan-2-yl oxolane-2-carboxylate (CID 82532677) is 1-(propylamino)propan-2-yl oxolane-2-carboxylate.
What is the SMILES notation for 1-(propylamino)propan-2-yl oxolane-2-carboxylate?
The canonical SMILES for 1-(propylamino)propan-2-yl oxolane-2-carboxylate is CCCNCC(C)OC(=O)C1CCCO1.
What is the InChIKey of 1-(propylamino)propan-2-yl oxolane-2-carboxylate?
The InChIKey is AFVKAKWTYZLPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-3-6-12-8-9(2)15-11(13)10-5-4-7-14-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(propylamino)propan-2-yl oxolane-2-carboxylate?
1-(propylamino)propan-2-yl oxolane-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)propan-2-yl oxolane-2-carboxylate is sourced from PubChem (CID 82532677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).