6-borono-3-(morpholin-4-ylmethyl)hexanoic acid

C11H22BNO5 — CID 155589053

IUPAC6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
SMILESO=C(O)CC(CCCB(O)O)CN1CCOCC1
InChIInChI=1S/C11H22BNO5/c14-11(15)8-10(2-1-3-12(16)17)9-13-4-6-18-7-5-13/h10,16-17H,1-9H2,(H,14,15)
InChIKeyLAYVVYYCJIEVJM-UHFFFAOYSA-N
MW259.11 g/mol
LogP-0.34
Rot. Bonds8

About 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid

6-borono-3-(morpholin-4-ylmethyl)hexanoic acid (PubChem CID 155589053) has the molecular formula C11H22BNO5 and a molecular weight of 259.11 g/mol. Its IUPAC name is 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid.

Molecular Properties

Compound Name6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
PubChem CID155589053
Molecular FormulaC11H22BNO5
Molecular Weight259.11 g/mol
Exact Mass259.16
IUPAC Name6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
SMILESO=C(O)CC(CCCB(O)O)CN1CCOCC1
InChIInChI=1S/C11H22BNO5/c14-11(15)8-10(2-1-3-12(16)17)9-13-4-6-18-7-5-13/h10,16-17H,1-9H2,(H,14,15)
InChIKeyLAYVVYYCJIEVJM-UHFFFAOYSA-N
XLogP-0.34
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-2-amino-6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
CID 155589022
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
2-(morpholin-4-ylmethyl)butanedioic acid
CID 45376163
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192
2-amino-4-methyl-1-morpholin-4-ylpentan-3-one
CID 83686496
(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
3-(azepan-1-ylmethyl)pentanoic acid
CID 81071515
S-(2-morpholin-4-ylacetyl)sulfanyl 2-morpholin-4-ylethanethioate
CID 57225107
ethyl (2S)-2-amino-3-morpholin-4-ylpropanoate
CID 70159679
4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
CID 123232497

Frequently Asked Questions

What is the IUPAC name of 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid?
The IUPAC name of 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid (CID 155589053) is 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid.
What is the SMILES notation for 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid?
The canonical SMILES for 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid is O=C(O)CC(CCCB(O)O)CN1CCOCC1.
What is the InChIKey of 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid?
The InChIKey is LAYVVYYCJIEVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22BNO5/c14-11(15)8-10(2-1-3-12(16)17)9-13-4-6-18-7-5-13/h10,16-17H,1-9H2,(H,14,15).
What are the key properties of 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid?
6-borono-3-(morpholin-4-ylmethyl)hexanoic acid has a molecular weight of 259.11 g/mol, XLogP of -0.34, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-borono-3-(morpholin-4-ylmethyl)hexanoic acid is sourced from PubChem (CID 155589053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).