(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid

C8H16N2O4 — CID 141336404

IUPAC(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid
SMILES[2H]C(CCN)C[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1/i1D/t1?,6-
InChIKeyOQVOZFPJUCUPLW-WAFLZAICSA-N
MW205.23 g/mol
LogP-0.76
Rot. Bonds8

About (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid

(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid (PubChem CID 141336404) has the molecular formula C8H16N2O4 and a molecular weight of 205.23 g/mol. Its IUPAC name is (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid
PubChem CID141336404
Molecular FormulaC8H16N2O4
Molecular Weight205.23 g/mol
Exact Mass205.12
IUPAC Name(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid
SMILES[2H]C(CCN)C[C@H](NCC(=O)O)C(=O)O
InChIInChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1/i1D/t1?,6-
InChIKeyOQVOZFPJUCUPLW-WAFLZAICSA-N
XLogP-0.76
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 5-0.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic 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

(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846
azane;2-(carboxymethylamino)pentanedioic acid;iron
CID 174849848
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
4-[4-(4-aminobutyl)phenoxy]-2-(carboxymethylamino)butanoic acid
CID 66839987
2-(6-aminohexylamino)decanedioic acid
CID 140815288
2,3-bis(carboxymethylamino)propanoic acid
CID 10922022
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid?
The IUPAC name of (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid (CID 141336404) is (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid is [2H]C(CCN)C[C@H](NCC(=O)O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid?
The InChIKey is OQVOZFPJUCUPLW-WAFLZAICSA-N. The full InChI is InChI=1S/C8H16N2O4/c9-4-2-1-3-6(8(13)14)10-5-7(11)12/h6,10H,1-5,9H2,(H,11,12)(H,13,14)/t6-/m0/s1/i1D/t1?,6-.
What are the key properties of (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid?
(2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid has a molecular weight of 205.23 g/mol, XLogP of -0.76, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(carboxymethylamino)-4-deuteriohexanoic acid is sourced from PubChem (CID 141336404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).