(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid

C10H23N2O4PS — CID 10637809

IUPAC(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid
SMILESCCOP(=S)(N[C@@H](CCCCN)C(=O)O)OCC
InChIInChI=1S/C10H23N2O4PS/c1-3-15-17(18,16-4-2)12-9(10(13)14)7-5-6-8-11/h9H,3-8,11H2,1-2H3,(H,12,18)(H,13,14)/t9-/m0/s1
InChIKeyUHLSJRNYVJGTCV-VIFPVBQESA-N
MW298.35 g/mol
LogP1.46
Rot. Bonds11

About (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid

(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid (PubChem CID 10637809) has the molecular formula C10H23N2O4PS and a molecular weight of 298.35 g/mol. Its IUPAC name is (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid
PubChem CID10637809
Molecular FormulaC10H23N2O4PS
Molecular Weight298.35 g/mol
Exact Mass298.11
IUPAC Name(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid
SMILESCCOP(=S)(N[C@@H](CCCCN)C(=O)O)OCC
InChIInChI=1S/C10H23N2O4PS/c1-3-15-17(18,16-4-2)12-9(10(13)14)7-5-6-8-11/h9H,3-8,11H2,1-2H3,(H,12,18)(H,13,14)/t9-/m0/s1
InChIKeyUHLSJRNYVJGTCV-VIFPVBQESA-N
XLogP1.46
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-6-amino-2-(dihydroxyphosphinothioylamino)hexanoic acid
CID 102122360
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
ethyl 6-amino-2-(ethoxycarbonylamino)hexanoate
CID 139792827
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-[(3-ethoxy-3-oxopropyl)amino]hexanoic acid
CID 121395511
(2R)-6-amino-2-methylhexanoic acid
CID 92976969
ethyl (2S)-6-amino-2-formamidohexanoate
CID 57231978
(2S)-6-amino-2-[[(2S)-6-amino-2-methylhexanoyl]amino]hexanoic acid
CID 118056357
6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid (CID 10637809) is (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid is CCOP(=S)(N[C@@H](CCCCN)C(=O)O)OCC.
What is the InChIKey of (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid?
The InChIKey is UHLSJRNYVJGTCV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H23N2O4PS/c1-3-15-17(18,16-4-2)12-9(10(13)14)7-5-6-8-11/h9H,3-8,11H2,1-2H3,(H,12,18)(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid?
(2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid has a molecular weight of 298.35 g/mol, XLogP of 1.46, 11 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(diethoxyphosphinothioylamino)hexanoic acid is sourced from PubChem (CID 10637809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).