2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid

C12H22N2O5 — CID 103536440

IUPAC2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CC(OC)C(OC)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-5-8(11(15)16)13-12(17)14-6-9(18-2)10(7-14)19-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNQLGVNIAYJXKIC-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.29
Rot. Bonds6

About 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid

2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid (PubChem CID 103536440) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
PubChem CID103536440
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC Name2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CC(OC)C(OC)C1)C(=O)O
InChIInChI=1S/C12H22N2O5/c1-4-5-8(11(15)16)13-12(17)14-6-9(18-2)10(7-14)19-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16)
InChIKeyNQLGVNIAYJXKIC-UHFFFAOYSA-N
XLogP0.29
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
(2S)-2-[(3,4-dihydroxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567840
(2R)-2-[(3-methoxycarbonyl-4-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567313
2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]hexanoic acid
CID 102962543
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112
2-[(4-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61193645
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2S)-2-[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]pentanoic acid
CID 107567351
(2S)-2-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567387
4-hydroxy-2-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 102962820
(2R)-2-[(3-propylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567557

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid (CID 103536440) is 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid is CCCC(NC(=O)N1CC(OC)C(OC)C1)C(=O)O.
What is the InChIKey of 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is NQLGVNIAYJXKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O5/c1-4-5-8(11(15)16)13-12(17)14-6-9(18-2)10(7-14)19-3/h8-10H,4-7H2,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid?
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 274.32 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 103536440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).