(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate

C13H17NO3 — CID 62695261

IUPAC(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
SMILESCOc1ccc(COC(=O)C(N)C2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-2-9(3-7-11)8-17-13(15)12(14)10-4-5-10/h2-3,6-7,10,12H,4-5,8,14H2,1H3
InChIKeyCXQGLCGAKRMFRS-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.48
Rot. Bonds5

About (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate

(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate (PubChem CID 62695261) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate.

Molecular Properties

Compound Name(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
PubChem CID62695261
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate
SMILESCOc1ccc(COC(=O)C(N)C2CC2)cc1
InChIInChI=1S/C13H17NO3/c1-16-11-6-2-9(3-7-11)8-17-13(15)12(14)10-4-5-10/h2-3,6-7,10,12H,4-5,8,14H2,1H3
InChIKeyCXQGLCGAKRMFRS-UHFFFAOYSA-N
XLogP1.48
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-methoxyphenyl)methyl (2S)-2-amino-4-methylpentanoate
CID 61303711
(4-methoxyphenyl)methyl (2S)-2-amino-3-hydroxypropanoate
CID 61303513
(4-methoxyphenyl)methyl 2-amino-3-sulfanylpropanoate
CID 61304102
(4-methoxyphenyl)methyl 2-amino-3,3-dimethylbutanoate
CID 61304700
(4-methoxyphenyl)methyl 2-(aminomethyl)-3-methylbutanoate
CID 65217996
(4-methoxyphenyl)methyl (2R,3S)-3-(3a,4,5,6,7,7a-hexahydro-1H-indol-3-yl)-2,3-diaminopropanoate
CID 142898575
(4-methoxyphenyl)methyl silylformate
CID 123289214
(4-methoxyphenyl)methoxymethanethioic S-acid
CID 139442271
bis[(4-methoxyphenyl)methyl] 2-aminopentanedioate;hydrochloride
CID 155891056
propan-2-yl 4-[(4-methoxybenzoyl)oxymethyl]benzoate
CID 925812
(4-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 14760384
(4-methoxyphenyl)methyl 3-cyclopropylpropanoate
CID 56995818

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate?
The IUPAC name of (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate (CID 62695261) is (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate.
What is the SMILES notation for (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate?
The canonical SMILES for (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate is COc1ccc(COC(=O)C(N)C2CC2)cc1.
What is the InChIKey of (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate?
The InChIKey is CXQGLCGAKRMFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-6-2-9(3-7-11)8-17-13(15)12(14)10-4-5-10/h2-3,6-7,10,12H,4-5,8,14H2,1H3.
What are the key properties of (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate?
(4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate has a molecular weight of 235.28 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)methyl 2-amino-2-cyclopropylacetate is sourced from PubChem (CID 62695261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).