(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid

C9H18BNO4 — CID 54588730

IUPAC(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid
SMILESC=CC[C@](N)(CCCCB(O)O)C(=O)O
InChIInChI=1S/C9H18BNO4/c1-2-5-9(11,8(12)13)6-3-4-7-10(14)15/h2,14-15H,1,3-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyUFTRIFNEAUZJLR-VIFPVBQESA-N
MW215.06 g/mol
LogP-0.01
Rot. Bonds8

About (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid

(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid (PubChem CID 54588730) has the molecular formula C9H18BNO4 and a molecular weight of 215.06 g/mol. Its IUPAC name is (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid
PubChem CID54588730
Molecular FormulaC9H18BNO4
Molecular Weight215.06 g/mol
Exact Mass215.13
IUPAC Name(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid
SMILESC=CC[C@](N)(CCCCB(O)O)C(=O)O
InChIInChI=1S/C9H18BNO4/c1-2-5-9(11,8(12)13)6-3-4-7-10(14)15/h2,14-15H,1,3-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyUFTRIFNEAUZJLR-VIFPVBQESA-N
XLogP-0.01
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-borono-2-(3-hydroxypropyl)hexanoic acid;hydrochloride
CID 87173227
2-amino-2-(3-amino-3-oxopropyl)-6-boronohexanoic acid
CID 162251924
2-amino-6-borono-2-(2-methylpropyl)hexanoic acid;hydrochloride
CID 87173180
2-amino-6-borono-2-(cyanomethyl)hexanoic acid
CID 46849550
(2R)-2-amino-2-propylpent-4-enoic acid
CID 102284688
(2S)-2-amino-6-borono-2-[(diaminomethylideneamino)methyl]hexanoic acid
CID 155558229
(2R)-2-amino-6-borono-2-[(diaminomethylideneamino)methyl]hexanoic acid
CID 155537312
2-amino-2-pent-4-enylhept-6-enoic acid
CID 87318887
2-amino-6-borono-2-[2-(tert-butylamino)ethyl]hexanoic acid
CID 87173202
(2S)-2-amino-6-borono-2-methylhexanoic acid
CID 53249972
2-amino-2-[2-[hydroxy(methyl)phosphoryl]ethyl]pent-4-enoic acid
CID 88769968
(2R)-2-amino-2-(2-methylsulfanylethyl)pent-4-enoic acid
CID 134989261

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid?
The IUPAC name of (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid (CID 54588730) is (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid?
The canonical SMILES for (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid is C=CC[C@](N)(CCCCB(O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid?
The InChIKey is UFTRIFNEAUZJLR-VIFPVBQESA-N. The full InChI is InChI=1S/C9H18BNO4/c1-2-5-9(11,8(12)13)6-3-4-7-10(14)15/h2,14-15H,1,3-7,11H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid?
(2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid has a molecular weight of 215.06 g/mol, XLogP of -0.01, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-borono-2-prop-2-enylhexanoic acid is sourced from PubChem (CID 54588730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).