2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid

C13H22N2O4 — CID 63980178

IUPAC2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCOCC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-19-8-9-4-6-15(7-5-9)13(18)14-11(12(16)17)10-2-3-10/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyIIJJFHNKACOVQL-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.92
Rot. Bonds5

About 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid

2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid (PubChem CID 63980178) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
PubChem CID63980178
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid
SMILESCOCC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-19-8-9-4-6-15(7-5-9)13(18)14-11(12(16)17)10-2-3-10/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17)
InChIKeyIIJJFHNKACOVQL-UHFFFAOYSA-N
XLogP0.92
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[(4-methylpiperidine-1-carbonyl)amino]acetic acid
CID 62697752
2-[[4-(2-amino-2-oxoethyl)piperidine-1-carbonyl]amino]-2-cyclopropylacetic acid
CID 62710378
4-hydroxy-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]butanoic acid
CID 63977875
(2S)-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]pentanedioic acid
CID 63979418
2-cyclopropyl-2-[[4-(dimethylamino)piperidine-1-carbonyl]amino]acetic acid
CID 55107629
(2S)-5-amino-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63979419
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-3-methyl-5-oxopentanoic acid
CID 63978057
(2S)-2-[[3-(methoxymethyl)pyrrolidine-1-carbonyl]amino]-3-methylbutanoic acid
CID 64597217
2-cyclopropyl-2-(thiomorpholine-4-carbonylamino)acetic acid
CID 62710695
2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-2-methylbutanoic acid
CID 79801848
2-cyclopropyl-2-[(4-methylsulfanylazepane-1-carbonyl)amino]acetic acid
CID 114237984
5-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]-5-oxopentanoic acid
CID 63978254

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid (CID 63980178) is 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid is COCC1CCN(C(=O)NC(C(=O)O)C2CC2)CC1.
What is the InChIKey of 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid?
The InChIKey is IIJJFHNKACOVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-19-8-9-4-6-15(7-5-9)13(18)14-11(12(16)17)10-2-3-10/h9-11H,2-8H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid?
2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid has a molecular weight of 270.33 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[4-(methoxymethyl)piperidine-1-carbonyl]amino]acetic acid is sourced from PubChem (CID 63980178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).