4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid

C16H27N3O5 — CID 120703250

IUPAC4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H27N3O5/c1-24-11-6-13(15(21)22)17-14(20)12-4-9-19(10-5-12)16(23)18-7-2-3-8-18/h12-13H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyXHBBIDBYBAAZIY-UHFFFAOYSA-N
MW341.41 g/mol
LogP0.52
Rot. Bonds6

About 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid

4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid (PubChem CID 120703250) has the molecular formula C16H27N3O5 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid.

Molecular Properties

Compound Name4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
PubChem CID120703250
Molecular FormulaC16H27N3O5
Molecular Weight341.41 g/mol
Exact Mass341.20
IUPAC Name4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
SMILESCOCCC(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O
InChIInChI=1S/C16H27N3O5/c1-24-11-6-13(15(21)22)17-14(20)12-4-9-19(10-5-12)16(23)18-7-2-3-8-18/h12-13H,2-11H2,1H3,(H,17,20)(H,21,22)
InChIKeyXHBBIDBYBAAZIY-UHFFFAOYSA-N
XLogP0.52
TPSA99.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-acetylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 62478946
(2S)-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 120615417
2-(cycloheptanecarbonylamino)-4-methoxybutanoic acid
CID 55091388
2-[[1-(2,2-dimethylpropanoyl)piperidine-3-carbonyl]amino]-4-methoxybutanoic acid
CID 120703197
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-[(4-aminocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 55076337
2-[(1-butylsulfonylpiperidine-4-carbonyl)amino]-4-methoxybutanoic acid
CID 120702923
2-[(3,3-difluorocyclohexanecarbonyl)amino]-4-methoxybutanoic acid
CID 114226173
4-methoxy-2-[[(3R)-piperidine-3-carbonyl]amino]butanoic acid
CID 81139656
2-[(1-acetylpiperidine-4-carbonyl)amino]-4-sulfanylbutanoic acid
CID 114212494
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-3-methoxypropanoic acid
CID 81077471
3-methyl-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid
CID 119136333

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The IUPAC name of 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid (CID 120703250) is 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid.
What is the SMILES notation for 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The canonical SMILES for 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid is COCCC(NC(=O)C1CCN(C(=O)N2CCCC2)CC1)C(=O)O.
What is the InChIKey of 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
The InChIKey is XHBBIDBYBAAZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O5/c1-24-11-6-13(15(21)22)17-14(20)12-4-9-19(10-5-12)16(23)18-7-2-3-8-18/h12-13H,2-11H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid?
4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid has a molecular weight of 341.41 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]amino]butanoic acid is sourced from PubChem (CID 120703250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).