2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C10H17NO5 — CID 54711262

IUPAC2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCCCCNCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C10H17NO5/c1-2-3-4-11-5-6(12)9-7(13)8(14)10(15)16-9/h6,9,11-14H,2-5H2,1H3
InChIKeyAKDCHAZKRZPVLY-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.01
Rot. Bonds6

About 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54711262) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54711262
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Name2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCCCCNCC(O)C1OC(=O)C(O)=C1O
InChIInChI=1S/C10H17NO5/c1-2-3-4-11-5-6(12)9-7(13)8(14)10(15)16-9/h6,9,11-14H,2-5H2,1H3
InChIKeyAKDCHAZKRZPVLY-UHFFFAOYSA-N
XLogP-0.01
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54711262) is 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is CCCCNCC(O)C1OC(=O)C(O)=C1O.
What is the InChIKey of 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is AKDCHAZKRZPVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-2-3-4-11-5-6(12)9-7(13)8(14)10(15)16-9/h6,9,11-14H,2-5H2,1H3.
What are the key properties of 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 231.25 g/mol, XLogP of -0.01, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(butylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54711262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).