(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

C12H21N3O5 — CID 79072248

IUPAC(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCOC(CNC(=O)N2CC(O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-14-2-3-20-9(7-14)5-13-12(19)15-6-8(16)4-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyGGJMTXBDKPIPKQ-RTBKNWGFSA-N
MW287.32 g/mol
LogP-1.45
Rot. Bonds3

About (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (PubChem CID 79072248) has the molecular formula C12H21N3O5 and a molecular weight of 287.32 g/mol. Its IUPAC name is (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
PubChem CID79072248
Molecular FormulaC12H21N3O5
Molecular Weight287.32 g/mol
Exact Mass287.15
IUPAC Name(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
SMILESCN1CCOC(CNC(=O)N2CC(O)C[C@H]2C(=O)O)C1
InChIInChI=1S/C12H21N3O5/c1-14-2-3-20-9(7-14)5-13-12(19)15-6-8(16)4-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18)/t8?,9?,10-/m0/s1
InChIKeyGGJMTXBDKPIPKQ-RTBKNWGFSA-N
XLogP-1.45
TPSA102.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-hydroxy-1-[(1-methylpiperidin-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 64714121
4-methyl-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79071056
(2R,4R)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104860996
(2S,4S)-1-(cyclopentylmethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713739
4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103995936
(2S,4S)-4-hydroxy-1-[(2-methylcyclopropyl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104861012
(2S,4R)-1-[(4-ethylcyclohexyl)methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63843058
N-[[(2S)-4-methylmorpholin-2-yl]methyl]acetamide
CID 170608678
N-[(4-methylmorpholin-2-yl)methyl]acetamide
CID 69087754
(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999377
2-[4-[(4-methylmorpholin-2-yl)methylcarbamoyl]piperazin-1-yl]acetic acid
CID 79083458
3,3-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]butanamide
CID 49094753

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid (CID 79072248) is (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is CN1CCOC(CNC(=O)N2CC(O)C[C@H]2C(=O)O)C1.
What is the InChIKey of (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GGJMTXBDKPIPKQ-RTBKNWGFSA-N. The full InChI is InChI=1S/C12H21N3O5/c1-14-2-3-20-9(7-14)5-13-12(19)15-6-8(16)4-10(15)11(17)18/h8-10,16H,2-7H2,1H3,(H,13,19)(H,17,18)/t8?,9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-1-[(4-methylmorpholin-2-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 79072248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).