(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride

C18H38ClNO2 — CID 56846070

IUPAC(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
SMILESCCCCCCCCCCCCCCCC(=O)[C@H](N)CO.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17,20H,2-16,19H2,1H3;1H/t17-;/m1./s1
InChIKeyFVUPVZMHCVAKHG-UNTBIKODSA-N
MW335.96 g/mol
LogP4.78
Rot. Bonds16

About (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride

(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride (PubChem CID 56846070) has the molecular formula C18H38ClNO2 and a molecular weight of 335.96 g/mol. Its IUPAC name is (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
PubChem CID56846070
Molecular FormulaC18H38ClNO2
Molecular Weight335.96 g/mol
Exact Mass335.26
IUPAC Name(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride
SMILESCCCCCCCCCCCCCCCC(=O)[C@H](N)CO.Cl
InChIInChI=1S/C18H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17,20H,2-16,19H2,1H3;1H/t17-;/m1./s1
InChIKeyFVUPVZMHCVAKHG-UNTBIKODSA-N
XLogP4.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.96
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-hydroxyoctadecan-3-one
CID 631
(2S)-1,2-diaminotetradecan-3-one
CID 94859791
19-aminooctatriacontane-18,21-dione
CID 163964320
4-amino-2-methyltetradecan-5-one
CID 116553430
(2S)-2-amino-3-hydroxypropanoic acid;tetradecanamide
CID 87408831
4-aminotetradec-1-en-5-one
CID 116606806
(2S)-2,5-diamino-6-oxohenicosanoic acid
CID 22792812
4-aminododec-1-yn-5-one
CID 116606528
2,4-diamino-5-oxodecanoic acid
CID 138595877
dodecyl (2S)-2-amino-3-hydroxypropanoate;hydrochloride
CID 146680818
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
1,2-diamino-3-(hydroxymethyl)henicosan-4-one
CID 121302479

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride (CID 56846070) is (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride is CCCCCCCCCCCCCCCC(=O)[C@H](N)CO.Cl.
What is the InChIKey of (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride?
The InChIKey is FVUPVZMHCVAKHG-UNTBIKODSA-N. The full InChI is InChI=1S/C18H37NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20;/h17,20H,2-16,19H2,1H3;1H/t17-;/m1./s1.
What are the key properties of (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride?
(2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride has a molecular weight of 335.96 g/mol, XLogP of 4.78, 16 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-hydroxyoctadecan-3-one;hydrochloride is sourced from PubChem (CID 56846070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).