2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid

C10H19NO4 — CID 168896378

IUPAC2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid
SMILESCOC(OC)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-14-10(15-2)8-3-5-11(6-4-8)7-9(12)13/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMVDBLNGUCNDRMN-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.40
Rot. Bonds5

About 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid

2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid (PubChem CID 168896378) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid
PubChem CID168896378
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid
SMILESCOC(OC)C1CCN(CC(=O)O)CC1
InChIInChI=1S/C10H19NO4/c1-14-10(15-2)8-3-5-11(6-4-8)7-9(12)13/h8,10H,3-7H2,1-2H3,(H,12,13)
InChIKeyMVDBLNGUCNDRMN-UHFFFAOYSA-N
XLogP0.40
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[4-(difluoromethyl)piperidin-1-yl]acetic acid
CID 121215401
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
2-[4-(2,2-dimethoxyethyl)piperazin-1-yl]acetic acid
CID 56716645
4-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]-3,5-difluorobenzoic acid
CID 175504979
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
2-[3-(methoxymethyl)pyrrolidin-1-yl]acetic acid
CID 64599596
4-(dimethoxymethyl)-1-methylpiperidine
CID 130714868
2-[4,10-bis(carboxymethyl)-7-(methoxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90886776
2-[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]acetic acid
CID 170916597
2-(3-methoxycarbonylpyrrolidin-1-yl)acetic acid
CID 67420841
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
ethane;2-[4,7,10-tris(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 143494242

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid (CID 168896378) is 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid is COC(OC)C1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid?
The InChIKey is MVDBLNGUCNDRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-14-10(15-2)8-3-5-11(6-4-8)7-9(12)13/h8,10H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid?
2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethoxymethyl)piperidin-1-yl]acetic acid is sourced from PubChem (CID 168896378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).