(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

C12H20N2O6 — CID 81204962

IUPAC(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-7-6-20-9(5-15)4-13(7)12(19)14-3-8(16)2-10(14)11(17)18/h7-10,15-16H,2-6H2,1H3,(H,17,18)/t7?,8-,9?,10-/m0/s1
InChIKeyNISQPZRATZASSN-LRHRNSLUSA-N
MW288.30 g/mol
LogP-1.29
Rot. Bonds2

About (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid

(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 81204962) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
PubChem CID81204962
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Name(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O
InChIInChI=1S/C12H20N2O6/c1-7-6-20-9(5-15)4-13(7)12(19)14-3-8(16)2-10(14)11(17)18/h7-10,15-16H,2-6H2,1H3,(H,17,18)/t7?,8-,9?,10-/m0/s1
InChIKeyNISQPZRATZASSN-LRHRNSLUSA-N
XLogP-1.29
TPSA110.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R)-1-(2,5-dimethylmorpholine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842866
4-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]thiomorpholine-3-carboxylic acid
CID 82905850
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
CID 103978998
4-hydroxy-1-(2-methylpyrrolidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61207457
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
(2S)-4-hydroxy-1-(2-methylpiperidine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 61187524
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297
2-[1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidin-3-yl]acetic acid
CID 81204512

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid (CID 81204962) is (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is CC1COC(CO)CN1C(=O)N1C[C@@H](O)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NISQPZRATZASSN-LRHRNSLUSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-7-6-20-9(5-15)4-13(7)12(19)14-3-8(16)2-10(14)11(17)18/h7-10,15-16H,2-6H2,1H3,(H,17,18)/t7?,8-,9?,10-/m0/s1.
What are the key properties of (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid?
(2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 288.30 g/mol, XLogP of -1.29, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81204962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).