(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate

C14H19NO4 — CID 115292702

IUPAC(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
SMILESCOc1ccc(COC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-17-12-4-2-11(3-5-12)10-19-13(16)14(15)6-8-18-9-7-14/h2-5H,6-10,15H2,1H3
InChIKeyYDSGLRHXNLZGPC-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.25
Rot. Bonds4

About (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate

(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate (PubChem CID 115292702) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
PubChem CID115292702
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate
SMILESCOc1ccc(COC(=O)C2(N)CCOCC2)cc1
InChIInChI=1S/C14H19NO4/c1-17-12-4-2-11(3-5-12)10-19-13(16)14(15)6-8-18-9-7-14/h2-5H,6-10,15H2,1H3
InChIKeyYDSGLRHXNLZGPC-UHFFFAOYSA-N
XLogP1.25
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxyphenyl)methyl 1-aminocycloheptane-1-carboxylate
CID 61304508
(3-bromophenyl)methyl 4-aminooxane-4-carboxylate
CID 82824547
(4-methoxyphenyl)methyl 1-formylcyclopentane-1-carboxylate
CID 18404452
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]oxane-4-carboxamide
CID 115295221
(4-methoxyphenyl)methyl 2-(1-aminocyclohexyl)acetate
CID 64701200
(4-aminooxan-4-yl)-(4-methoxy-2-methylphenyl)methanone
CID 116604665
4-amino-N-[(2,5-dimethoxyphenyl)methyl]oxane-4-carboxamide
CID 115294665
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
4-(iodomethyl)-4-[(4-methoxyphenyl)methoxy]oxane
CID 114773658
benzyl 4-(aminomethyl)oxane-4-carboxylate
CID 115440225
ethane;(4-methoxyphenyl)methyl N-(1-ethylcyclopropyl)carbamate
CID 144672490

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate?
The IUPAC name of (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate (CID 115292702) is (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate.
What is the SMILES notation for (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate?
The canonical SMILES for (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate is COc1ccc(COC(=O)C2(N)CCOCC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate?
The InChIKey is YDSGLRHXNLZGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-4-2-11(3-5-12)10-19-13(16)14(15)6-8-18-9-7-14/h2-5H,6-10,15H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate?
(4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 4-aminooxane-4-carboxylate is sourced from PubChem (CID 115292702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).