5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid

C14H24N2O5 — CID 63978057

IUPAC5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOCC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16-5-3-11(4-6-16)9-21-2/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyDCOVBQDFBIRWOX-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.08
Rot. Bonds6

About 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid

5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid (PubChem CID 63978057) has the molecular formula C14H24N2O5 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
PubChem CID63978057
Molecular FormulaC14H24N2O5
Molecular Weight300.36 g/mol
Exact Mass300.17
IUPAC Name5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
SMILESCOCC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1
InChIInChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16-5-3-11(4-6-16)9-21-2/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20)
InChIKeyDCOVBQDFBIRWOX-UHFFFAOYSA-N
XLogP1.08
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 62942046
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254
5-(azocane-1-carbonylamino)-3-methyl-5-oxopentanoic acid
CID 62964310
5-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63536519
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418
2-[[2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetyl]amino]acetic acid
CID 63977490
N-(2-chloroacetyl)-3-(methoxymethyl)pyrrolidine-1-carboxamide
CID 64596602
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid (CID 63978057) is 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid is COCC1CCN(C(=O)NC(=O)CC(C)CC(=O)O)CC1.
What is the InChIKey of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
The InChIKey is DCOVBQDFBIRWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O5/c1-10(8-13(18)19)7-12(17)15-14(20)16-5-3-11(4-6-16)9-21-2/h10-11H,3-9H2,1-2H3,(H,18,19)(H,15,17,20).
What are the key properties of 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid?
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid has a molecular weight of 300.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 63978057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).