5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid

C14H24N2O5 — CID 62963865

IUPAC5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOCC(=O)N1CCC(NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(8-14(19)20)7-12(17)15-11-3-5-16(6-4-11)13(18)9-21-2/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCXPZYJYQIAZQKR-UHFFFAOYSA-N
MW300.36 g/mol
LogP0.24
Rot. Bonds7

About 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid

5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 62963865) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID62963865
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOCC(=O)N1CCC(NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(8-14(19)20)7-12(17)15-11-3-5-16(6-4-11)13(18)9-21-2/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20)
InChIKeyCXPZYJYQIAZQKR-UHFFFAOYSA-N
XLogP0.24
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497433
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
2-methoxy-1-[4-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 43747632
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
5-(cyclobutylamino)-3-methyl-5-oxopentanoic acid
CID 62965613
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78958326
3-(ethylamino)-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 62833950
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
2-amino-3-methoxy-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 81083241

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid (CID 62963865) is 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid is COCC(=O)N1CCC(NC(=O)CC(C)CC(=O)O)CC1.
What is the InChIKey of 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is CXPZYJYQIAZQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(8-14(19)20)7-12(17)15-11-3-5-16(6-4-11)13(18)9-21-2/h10-11H,3-9H2,1-2H3,(H,15,17)(H,19,20).
What are the key properties of 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid?
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 62963865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).