2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid

C11H18N2O6 — CID 61214957

IUPAC2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
SMILESCOC1CNC(C(=O)NC(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-19-6-4-8(12-5-6)10(16)13-7(11(17)18)2-3-9(14)15/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeySLXYFULERGSOLE-UHFFFAOYSA-N
MW274.27 g/mol
LogP-1.20
Rot. Bonds7

About 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid

2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid (PubChem CID 61214957) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
PubChem CID61214957
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Name2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid
SMILESCOC1CNC(C(=O)NC(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H18N2O6/c1-19-6-4-8(12-5-6)10(16)13-7(11(17)18)2-3-9(14)15/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,15)(H,17,18)
InChIKeySLXYFULERGSOLE-UHFFFAOYSA-N
XLogP-1.20
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-1.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-2-[(4-methoxypyrrolidine-2-carbonyl)amino]butanoic acid
CID 107825023
(2S)-2-[(4-methoxypyrrolidine-2-carbonyl)amino]hexanoic acid
CID 107146846
3-[(4-methoxypyrrolidine-2-carbonyl)amino]-2-methylbutanoic acid
CID 113416438
2-[(4-hydroxypyrrolidine-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478644
4-methoxy-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-2-carboxamide
CID 115753473
N-(4-ethylsulfanylbutan-2-yl)-4-methoxypyrrolidine-2-carboxamide
CID 115753457
N-(1-cyclopropylethyl)-4-methoxypyrrolidine-2-carboxamide
CID 61213308
(2S)-2-(pyrrolidine-2-carbonylamino)pentanedioic acid
CID 61159815
(2S)-2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]pentanedioic acid
CID 70530537
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
N-[(1S)-1-cyclopentylethyl]-4-methoxypyrrolidine-2-carboxamide
CID 81389076
4-methoxy-N-(1-phenylethyl)pyrrolidine-2-carboxamide
CID 61214153

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid?
The IUPAC name of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid (CID 61214957) is 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid.
What is the SMILES notation for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid?
The canonical SMILES for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid is COC1CNC(C(=O)NC(CCC(=O)O)C(=O)O)C1.
What is the InChIKey of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid?
The InChIKey is SLXYFULERGSOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-19-6-4-8(12-5-6)10(16)13-7(11(17)18)2-3-9(14)15/h6-8,12H,2-5H2,1H3,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid?
2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid has a molecular weight of 274.27 g/mol, XLogP of -1.20, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrrolidine-2-carbonyl)amino]pentanedioic acid is sourced from PubChem (CID 61214957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).