(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid

C11H25BN2O4 — CID 71554633

IUPAC(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid
SMILESCC(C)NCC[C@](N)(CCCCB(O)O)C(=O)O
InChIInChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyZCWYHSMQWZZJCW-LLVKDONJSA-N
MW260.14 g/mol
LogP-0.20
Rot. Bonds10

About (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid

(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid (PubChem CID 71554633) has the molecular formula C11H25BN2O4 and a molecular weight of 260.14 g/mol. Its IUPAC name is (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid
PubChem CID71554633
Molecular FormulaC11H25BN2O4
Molecular Weight260.14 g/mol
Exact Mass260.19
IUPAC Name(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid
SMILESCC(C)NCC[C@](N)(CCCCB(O)O)C(=O)O
InChIInChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyZCWYHSMQWZZJCW-LLVKDONJSA-N
XLogP-0.20
TPSA115.81 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.14
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid?
The IUPAC name of (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid (CID 71554633) is (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid.
What is the SMILES notation for (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid?
The canonical SMILES for (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid is CC(C)NCC[C@](N)(CCCCB(O)O)C(=O)O.
What is the InChIKey of (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid?
The InChIKey is ZCWYHSMQWZZJCW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H25BN2O4/c1-9(2)14-8-6-11(13,10(15)16)5-3-4-7-12(17)18/h9,14,17-18H,3-8,13H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid?
(2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid has a molecular weight of 260.14 g/mol, XLogP of -0.20, 10 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-6-borono-2-[2-(propan-2-ylamino)ethyl]hexanoic acid is sourced from PubChem (CID 71554633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).