(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid

C12H20N2O7 — CID 107841289

IUPAC(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N1CCOCC1CO)C(=O)O
InChIInChI=1S/C12H20N2O7/c15-6-8-7-21-5-4-14(8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t8?,9-/m1/s1
InChIKeyFFGPVGAVFKFFDP-YGPZHTELSA-N
MW304.30 g/mol
LogP-0.90
Rot. Bonds7

About (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid

(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid (PubChem CID 107841289) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid.

Molecular Properties

Compound Name(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
PubChem CID107841289
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid
SMILESO=C(O)CCC[C@@H](NC(=O)N1CCOCC1CO)C(=O)O
InChIInChI=1S/C12H20N2O7/c15-6-8-7-21-5-4-14(8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t8?,9-/m1/s1
InChIKeyFFGPVGAVFKFFDP-YGPZHTELSA-N
XLogP-0.90
TPSA136.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-0.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107829269
(2S)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 104877480
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
(2R)-2-[(2-ethylpyrrolidine-1-carbonyl)amino]hexanedioic acid
CID 107838651
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
2-hydroxy-4-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]butanoic acid
CID 114007756
(2S)-5-amino-2-[(3-carbamoylmorpholine-4-carbonyl)amino]-5-oxopentanoic acid
CID 83098558
(2R)-2-(2-azabicyclo[2.2.1]heptane-2-carbonylamino)hexanedioic acid
CID 107839132
(2S)-2-[[3-(methylcarbamoyl)morpholine-4-carbonyl]amino]hexanoic acid
CID 107146454
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
2-[(3-methylmorpholine-4-carbonyl)amino]-4-methylsulfonylbutanoic acid
CID 61209766
(2R)-2-(1,4-dioxane-2-carbonylamino)hexanedioic acid
CID 107831481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid?
The IUPAC name of (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid (CID 107841289) is (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid.
What is the SMILES notation for (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid?
The canonical SMILES for (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid is O=C(O)CCC[C@@H](NC(=O)N1CCOCC1CO)C(=O)O.
What is the InChIKey of (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid?
The InChIKey is FFGPVGAVFKFFDP-YGPZHTELSA-N. The full InChI is InChI=1S/C12H20N2O7/c15-6-8-7-21-5-4-14(8)12(20)13-9(11(18)19)2-1-3-10(16)17/h8-9,15H,1-7H2,(H,13,20)(H,16,17)(H,18,19)/t8?,9-/m1/s1.
What are the key properties of (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid?
(2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid has a molecular weight of 304.30 g/mol, XLogP of -0.90, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-(hydroxymethyl)morpholine-4-carbonyl]amino]hexanedioic acid is sourced from PubChem (CID 107841289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).