(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid

C11H20N2O5 — CID 107826658

IUPAC(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCC1(C)COCCN1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2)7-18-6-4-13(11)10(17)12-8(3-5-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m1/s1
InChIKeyOBQYXAQWYSEQPX-MRVPVSSYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

About (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid

(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid (PubChem CID 107826658) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
PubChem CID107826658
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid
SMILESCC1(C)COCCN1C(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H20N2O5/c1-11(2)7-18-6-4-13(11)10(17)12-8(3-5-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m1/s1
InChIKeyOBQYXAQWYSEQPX-MRVPVSSYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,3-dimethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 61428247
(2S)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107826661
2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
CID 61428446
4-amino-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-oxobutanoic acid
CID 61428585
4-hydroxy-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 61227566
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
(2R)-2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107566957
3-[(3,3-dimethylmorpholine-4-carbonyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66177207
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]oxane-4-carboxylic acid
CID 115292950
(2S)-4-hydroxy-2-[(3-hydroxy-3-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 107829254
4-[(3,3-dimethylmorpholine-4-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
CID 66002610
(2R)-1-(3,3-dimethylmorpholin-4-yl)-2-hydroxypropan-1-one
CID 126987422

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid (CID 107826658) is (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid is CC1(C)COCCN1C(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid?
The InChIKey is OBQYXAQWYSEQPX-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2)7-18-6-4-13(11)10(17)12-8(3-5-14)9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)/t8-/m1/s1.
What are the key properties of (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid?
(2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,3-dimethylmorpholine-4-carbonyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107826658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).