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

C14H26N2O5 — CID 103536386

IUPAC2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCOC1CN(C(=O)NCC(CC(C)C)C(=O)O)CC1OC
InChIInChI=1S/C14H26N2O5/c1-9(2)5-10(13(17)18)6-15-14(19)16-7-11(20-3)12(8-16)21-4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYWVOZWHEZFNSMP-UHFFFAOYSA-N
MW302.37 g/mol
LogP0.79
Rot. Bonds7

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

2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid (PubChem CID 103536386) has the molecular formula C14H26N2O5 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid
PubChem CID103536386
Molecular FormulaC14H26N2O5
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid
SMILESCOC1CN(C(=O)NCC(CC(C)C)C(=O)O)CC1OC
InChIInChI=1S/C14H26N2O5/c1-9(2)5-10(13(17)18)6-15-14(19)16-7-11(20-3)12(8-16)21-4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyYWVOZWHEZFNSMP-UHFFFAOYSA-N
XLogP0.79
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-N-(2-methylpropyl)azetidine-1-carboxamide
CID 170110889
2-[[[3-[(carbamoylamino)methyl]piperidine-1-carbonyl]amino]methyl]-4-methylpentanoic acid
CID 122126635
1-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 103536430
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 103536440
2-[[(2,6-dimethylthiomorpholine-4-carbonyl)amino]methyl]butanoic acid
CID 65226631
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
(2R)-2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanoic acid
CID 107567836
2-[[(4-methoxycarbonylpiperidine-1-carbonyl)amino]methyl]butanoic acid
CID 65217912
3,4-dimethoxypyrrolidine-1-carbohydrazide
CID 103536753
2-[[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]methyl]pentanoic acid
CID 65218752
2-[[(2-cyclobutylacetyl)amino]methyl]-4-methylpentanoic acid
CID 103925732
2-[[(3-methoxy-3-methylbutanoyl)amino]methyl]-4-methylpentanoic acid
CID 103019000

Frequently Asked Questions

What is the IUPAC name of 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid (CID 103536386) is 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid is COC1CN(C(=O)NCC(CC(C)C)C(=O)O)CC1OC.
What is the InChIKey of 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid?
The InChIKey is YWVOZWHEZFNSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O5/c1-9(2)5-10(13(17)18)6-15-14(19)16-7-11(20-3)12(8-16)21-4/h9-12H,5-8H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid?
2-[[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]methyl]-4-methylpentanoic acid has a molecular weight of 302.37 g/mol, XLogP of 0.79, 7 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]methyl]-4-methylpentanoic acid is sourced from PubChem (CID 103536386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).