(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

C13H22N2O5 — CID 107825515

IUPAC(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9-5-3-4-8-15(9)13(19)14-10(12(17)18)6-7-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10-/m0/s1
InChIKeyZMHUAEGCPBKFSX-AXDSSHIGSA-N
MW286.33 g/mol
LogP0.98
Rot. Bonds5

About (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid

(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 107825515) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
PubChem CID107825515
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CC[C@H](NC(=O)N1CCCCC1C)C(=O)O
InChIInChI=1S/C13H22N2O5/c1-9-5-3-4-8-15(9)13(19)14-10(12(17)18)6-7-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10-/m0/s1
InChIKeyZMHUAEGCPBKFSX-AXDSSHIGSA-N
XLogP0.98
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[(2-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 61187712
(2R)-2-[(2-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 104909758
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
(2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 61187523
(2S)-2-(azocane-1-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 107825972
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
(2S)-5-methoxy-2-[(3-methylpyrrolidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107826487
methyl (2S)-4-methyl-2-[(2-methylpiperidine-1-carbonyl)amino]pentanoate
CID 16682389
(2R)-5-amino-2-[(2-carbamoylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107830729
2-[(2-ethylpiperidine-1-carbonyl)amino]-4-methoxybutanoic acid
CID 62480415
(2S)-5-amino-2-[(2-ethylazepane-1-carbonyl)amino]-5-oxopentanoic acid
CID 104690935
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592

Frequently Asked Questions

What is the IUPAC name of (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid (CID 107825515) is (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CC[C@H](NC(=O)N1CCCCC1C)C(=O)O.
What is the InChIKey of (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is ZMHUAEGCPBKFSX-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-5-3-4-8-15(9)13(19)14-10(12(17)18)6-7-11(16)20-2/h9-10H,3-8H2,1-2H3,(H,14,19)(H,17,18)/t9?,10-/m0/s1.
What are the key properties of (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid?
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 286.33 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 107825515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).