6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid

C12H23NO4 — CID 81131310

IUPAC6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCC1(O)CCOCC1
InChIInChI=1S/C12H23NO4/c14-11(15)4-2-1-3-7-13-10-12(16)5-8-17-9-6-12/h13,16H,1-10H2,(H,14,15)
InChIKeySYYCBGIQEYPIKV-UHFFFAOYSA-N
MW245.32 g/mol
LogP0.76
Rot. Bonds8

About 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid

6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid (PubChem CID 81131310) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
PubChem CID81131310
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid
SMILESO=C(O)CCCCCNCC1(O)CCOCC1
InChIInChI=1S/C12H23NO4/c14-11(15)4-2-1-3-7-13-10-12(16)5-8-17-9-6-12/h13,16H,1-10H2,(H,14,15)
InChIKeySYYCBGIQEYPIKV-UHFFFAOYSA-N
XLogP0.76
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(1-hydroxycyclohexyl)methylamino]butanoic acid
CID 65108900
5-[(4-hydroxyoxan-4-yl)methylamino]pentanenitrile
CID 81130543
7-[(4-aminooxane-4-carbonyl)amino]heptanoic acid
CID 115294507
4-[(1-hydroxy-4-methylcyclohexyl)methylamino]butanoic acid
CID 65115815
5-[(1-hydroxy-3-methylcyclohexyl)methylamino]pentanoic acid
CID 103254347
11-[2-[2-[2-[2-(5-carboxypentylamino)ethylamino]ethylamino]ethylamino]ethylamino]undecanoic acid
CID 18956800
15-(3-carboxypropylamino)pentadecanoic acid
CID 87379366
N'-hydroxy-5-[(3-hydroxyoxolan-3-yl)methylamino]pentanimidamide
CID 106101846
2-[(4-hydroxyoxan-4-yl)methylamino]acetamide
CID 81130797
5-[[1-(hydroxymethyl)cyclohexyl]methylamino]pentanoic acid
CID 103263075
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
6-(2-bromoethylamino)hexanoic acid
CID 102350693

Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid?
The IUPAC name of 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid (CID 81131310) is 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid.
What is the SMILES notation for 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid?
The canonical SMILES for 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid is O=C(O)CCCCCNCC1(O)CCOCC1.
What is the InChIKey of 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid?
The InChIKey is SYYCBGIQEYPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c14-11(15)4-2-1-3-7-13-10-12(16)5-8-17-9-6-12/h13,16H,1-10H2,(H,14,15).
What are the key properties of 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid?
6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid has a molecular weight of 245.32 g/mol, XLogP of 0.76, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxyoxan-4-yl)methylamino]hexanoic acid is sourced from PubChem (CID 81131310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).