(2S)-2,6-diaminohexanoic acid;furan-2-ol

C10H18N2O4 — CID 90119881

IUPAC(2S)-2,6-diaminohexanoic acid;furan-2-ol
SMILESNCCCC[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C6H14N2O2.C4H4O2/c7-4-2-1-3-5(8)6(9)10;5-4-2-1-3-6-4/h5H,1-4,7-8H2,(H,9,10);1-3,5H/t5-;/m0./s1
InChIKeyLJBPYORAKVXPQP-JEDNCBNOSA-N
MW230.26 g/mol
LogP0.51
Rot. Bonds5

About (2S)-2,6-diaminohexanoic acid;furan-2-ol

(2S)-2,6-diaminohexanoic acid;furan-2-ol (PubChem CID 90119881) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2S)-2,6-diaminohexanoic acid;furan-2-ol.

Molecular Properties

Compound Name(2S)-2,6-diaminohexanoic acid;furan-2-ol
PubChem CID90119881
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2S)-2,6-diaminohexanoic acid;furan-2-ol
SMILESNCCCC[C@H](N)C(=O)O.Oc1ccco1
InChIInChI=1S/C6H14N2O2.C4H4O2/c7-4-2-1-3-5(8)6(9)10;5-4-2-1-3-6-4/h5H,1-4,7-8H2,(H,9,10);1-3,5H/t5-;/m0./s1
InChIKeyLJBPYORAKVXPQP-JEDNCBNOSA-N
XLogP0.51
TPSA122.71 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-aminopentanedioic acid;furan-2-ol
CID 90119871
(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
CID 90119424
2,6-diamino(1,2,3,4,5,6-13C6)hexanoic acid
CID 155890004
2,6-diaminohexanoic acid;diphenylmethanamine
CID 78006894
sodium 2,6-diaminohexanoic acid
CID 18320454
2,6-diaminohexanoic acid;titanium
CID 174642581
2,6-diaminohexanoic acid;2,5-diaminopentanoic acid
CID 18793360
tris((2S)-2,6-diaminohexanoic acid);iron
CID 153408479
tetrakis(2,6-diaminohexanoic acid);dihydrochloride
CID 174145709
CID 158432126
CID 158432126
(2S)-2,6-diamino(213C)hexanoic acid;hydrochloride
CID 71309084
2,13-diaminotridecanoic acid
CID 141414897

Frequently Asked Questions

What is the IUPAC name of (2S)-2,6-diaminohexanoic acid;furan-2-ol?
The IUPAC name of (2S)-2,6-diaminohexanoic acid;furan-2-ol (CID 90119881) is (2S)-2,6-diaminohexanoic acid;furan-2-ol.
What is the SMILES notation for (2S)-2,6-diaminohexanoic acid;furan-2-ol?
The canonical SMILES for (2S)-2,6-diaminohexanoic acid;furan-2-ol is NCCCC[C@H](N)C(=O)O.Oc1ccco1.
What is the InChIKey of (2S)-2,6-diaminohexanoic acid;furan-2-ol?
The InChIKey is LJBPYORAKVXPQP-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O2.C4H4O2/c7-4-2-1-3-5(8)6(9)10;5-4-2-1-3-6-4/h5H,1-4,7-8H2,(H,9,10);1-3,5H/t5-;/m0./s1.
What are the key properties of (2S)-2,6-diaminohexanoic acid;furan-2-ol?
(2S)-2,6-diaminohexanoic acid;furan-2-ol has a molecular weight of 230.26 g/mol, XLogP of 0.51, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,6-diaminohexanoic acid;furan-2-ol is sourced from PubChem (CID 90119881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).