(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid

C10H16N2O6 — CID 103536216

IUPAC(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
SMILESCOC1CCN(C(=O)N[C@H](CC(=O)O)C(=O)O)C1
InChIInChI=1S/C10H16N2O6/c1-18-6-2-3-12(5-6)10(17)11-7(9(15)16)4-8(13)14/h6-7H,2-5H2,1H3,(H,11,17)(H,13,14)(H,15,16)/t6?,7-/m1/s1
InChIKeyOKMIVNOIYLLVJS-COBSHVIPSA-N
MW260.25 g/mol
LogP-0.66
Rot. Bonds5

About (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid

(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid (PubChem CID 103536216) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
PubChem CID103536216
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid
SMILESCOC1CCN(C(=O)N[C@H](CC(=O)O)C(=O)O)C1
InChIInChI=1S/C10H16N2O6/c1-18-6-2-3-12(5-6)10(17)11-7(9(15)16)4-8(13)14/h6-7H,2-5H2,1H3,(H,11,17)(H,13,14)(H,15,16)/t6?,7-/m1/s1
InChIKeyOKMIVNOIYLLVJS-COBSHVIPSA-N
XLogP-0.66
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-O-methyl 1-O-propan-2-yl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
CID 10313681
Dimethyl 2-[propan-2-yl(propan-2-ylcarbamoyl)amino]butanedioate
CID 11778856
methyl (2S,3S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)butanoate
CID 135037693
(3R)-3-[(3,3-difluoropyrrolidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 167805134
(2S)-2-(pyrrolidine-1-carbonylamino)butanedioic acid
CID 54081531
5-Methoxycarbonyl-2-oxoimidazolidine-4-carboxylic acid
CID 67753448
2-Oxo-5-propoxycarbonylimidazolidine-4-carboxylic acid
CID 70352518
Dipropyl 2-oxoimidazolidine-4,5-dicarboxylate
CID 70352750
(3-hydroxy-1-methoxy-1-oxobutan-2-yl)-[(2S)-pyrrolidin-2-yl]carbamic acid
CID 138597551
[(2S,3R)-3-hydroxy-1-methoxy-1-oxobutan-2-yl]-pyrrolidin-2-ylcarbamic acid
CID 138597552
(2R)-2-[[(3R)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 168919953
(2R)-2-[[(3S)-3-hydroxypyrrolidine-1-carbonyl]amino]-4-morpholin-4-yl-4-oxobutanoic acid
CID 168919985

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid?
The IUPAC name of (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid (CID 103536216) is (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid.
What is the SMILES notation for (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid?
The canonical SMILES for (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid is COC1CCN(C(=O)N[C@H](CC(=O)O)C(=O)O)C1.
What is the InChIKey of (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid?
The InChIKey is OKMIVNOIYLLVJS-COBSHVIPSA-N. The full InChI is InChI=1S/C10H16N2O6/c1-18-6-2-3-12(5-6)10(17)11-7(9(15)16)4-8(13)14/h6-7H,2-5H2,1H3,(H,11,17)(H,13,14)(H,15,16)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid?
(2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid has a molecular weight of 260.25 g/mol, XLogP of -0.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-methoxypyrrolidine-1-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 103536216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).