(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid

C13H22N2O6 — CID 63979418

IUPAC(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
SMILESCOCC1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-21-8-9-4-6-15(7-5-9)13(20)14-10(12(18)19)2-3-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyQXQBOJOZXCCHCE-JTQLQIEISA-N
MW302.33 g/mol
LogP0.37
Rot. Bonds7

About (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid

(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid (PubChem CID 63979418) has the molecular formula C13H22N2O6 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid.

Molecular Properties

Compound Name(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
PubChem CID63979418
Molecular FormulaC13H22N2O6
Molecular Weight302.33 g/mol
Exact Mass302.15
IUPAC Name(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
SMILESCOCC1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1
InChIInChI=1S/C13H22N2O6/c1-21-8-9-4-6-15(7-5-9)13(20)14-10(12(18)19)2-3-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1
InChIKeyQXQBOJOZXCCHCE-JTQLQIEISA-N
XLogP0.37
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic 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)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]hexanoic acid
CID 64598838
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxy-5-oxopentanoic acid
CID 107826001
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
CID 63980178
2-[(3-aminopyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 55029823
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-phenylpropanoic acid
CID 120782370
2-[(3,4-dimethoxypyrrolidine-1-carbonyl)amino]pentanedioic acid
CID 103536379
2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]hexanoic acid
CID 106587981
5-methoxy-2-[(4-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 82787410
3-hydroxy-2-[[3-(methoxymethyl)piperidine-1-carbonyl]amino]propanoic acid
CID 106588055

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid?
The IUPAC name of (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid (CID 63979418) is (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid.
What is the SMILES notation for (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid?
The canonical SMILES for (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid is COCC1CCN(C(=O)N[C@@H](CCC(=O)O)C(=O)O)CC1.
What is the InChIKey of (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid?
The InChIKey is QXQBOJOZXCCHCE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H22N2O6/c1-21-8-9-4-6-15(7-5-9)13(20)14-10(12(18)19)2-3-11(16)17/h9-10H,2-8H2,1H3,(H,14,20)(H,16,17)(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid?
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid has a molecular weight of 302.33 g/mol, XLogP of 0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid is sourced from PubChem (CID 63979418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).