3-amino-12-hydroxydodecanoic acid

C12H25NO3 — CID 146253643

IUPAC3-amino-12-hydroxydodecanoic acid
SMILESNC(CCCCCCCCCO)CC(=O)O
InChIInChI=1S/C12H25NO3/c13-11(10-12(15)16)8-6-4-2-1-3-5-7-9-14/h11,14H,1-10,13H2,(H,15,16)
InChIKeyHGQHMLJNWGRHTK-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.90
Rot. Bonds11

About 3-amino-12-hydroxydodecanoic acid

3-amino-12-hydroxydodecanoic acid (PubChem CID 146253643) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-amino-12-hydroxydodecanoic acid.

Molecular Properties

Compound Name3-amino-12-hydroxydodecanoic acid
PubChem CID146253643
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Name3-amino-12-hydroxydodecanoic acid
SMILESNC(CCCCCCCCCO)CC(=O)O
InChIInChI=1S/C12H25NO3/c13-11(10-12(15)16)8-6-4-2-1-3-5-7-9-14/h11,14H,1-10,13H2,(H,15,16)
InChIKeyHGQHMLJNWGRHTK-UHFFFAOYSA-N
XLogP1.90
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-aminodocosanedioic acid
CID 57269564
3,7-diaminoheptanoic acid
CID 4695301
3-aminononanoic acid
CID 2832746
(3R)-3,7-diaminoheptanoic acid;dihydrochloride
CID 121234002
(3R)-3,6-diaminohexanoic acid;3,6-diaminohexanoic acid
CID 87126167
sodium;3-aminohenicosanoic acid;hydride
CID 175144455
3-amino-7-(methylamino)heptanoic acid
CID 20510151
4-aminononane-1,9-diol
CID 54004768
(2R)-2-amino-6-hydroxyhexanoic acid
CID 5288041
azane;3,5-diaminopentanoic acid
CID 173202896
(3S)-3-amino-7-(1-aminoethylideneamino)heptanoic acid
CID 57253327
(3R)-3-amino-6-(diaminomethylideneamino)hexanoic acid
CID 54401739

Frequently Asked Questions

What is the IUPAC name of 3-amino-12-hydroxydodecanoic acid?
The IUPAC name of 3-amino-12-hydroxydodecanoic acid (CID 146253643) is 3-amino-12-hydroxydodecanoic acid.
What is the SMILES notation for 3-amino-12-hydroxydodecanoic acid?
The canonical SMILES for 3-amino-12-hydroxydodecanoic acid is NC(CCCCCCCCCO)CC(=O)O.
What is the InChIKey of 3-amino-12-hydroxydodecanoic acid?
The InChIKey is HGQHMLJNWGRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c13-11(10-12(15)16)8-6-4-2-1-3-5-7-9-14/h11,14H,1-10,13H2,(H,15,16).
What are the key properties of 3-amino-12-hydroxydodecanoic acid?
3-amino-12-hydroxydodecanoic acid has a molecular weight of 231.34 g/mol, XLogP of 1.90, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-12-hydroxydodecanoic acid is sourced from PubChem (CID 146253643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).