ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate

C14H19NO3 — CID 54894410

IUPACethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-2-18-14(17)13(15-9-10-3-4-10)11-5-7-12(16)8-6-11/h5-8,10,13,15-16H,2-4,9H2,1H3
InChIKeyUCPAGLQANWYHMI-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.00
Rot. Bonds6

About ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate

ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate (PubChem CID 54894410) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
PubChem CID54894410
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Nameethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(NCC1CC1)c1ccc(O)cc1
InChIInChI=1S/C14H19NO3/c1-2-18-14(17)13(15-9-10-3-4-10)11-5-7-12(16)8-6-11/h5-8,10,13,15-16H,2-4,9H2,1H3
InChIKeyUCPAGLQANWYHMI-UHFFFAOYSA-N
XLogP2.00
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(cyclopropylmethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 61001864
ethyl 2-(cyclopropylmethylamino)-2-(3-ethoxy-4-hydroxyphenyl)acetate
CID 61001735
ethyl (2S)-2-acetamido-2-(4-hydroxyphenyl)acetate
CID 93477748
ethyl 2-(cyclopropylmethylamino)-2-(5-fluoro-2-hydroxyphenyl)acetate
CID 107698194
ethyl 2-(cyclopropylmethylamino)-2-(5-ethylthiophen-2-yl)acetate
CID 62345226
ethyl 2-[4-(difluoromethyl)phenyl]-2-(ethylamino)acetate
CID 113328429
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
methyl 2-(cyclopropylmethylamino)-2-(3-fluoro-4-hydroxyphenyl)acetate
CID 107690278
ethyl 2-(2-chloro-6-methoxyphenyl)-2-(cyclopropylmethylamino)acetate
CID 104816560
2-(4-tert-butylphenyl)-2-(cyclopropylmethylamino)acetic acid
CID 54894831
2-(cyclopropylmethylamino)-2-(4-cyclopropylphenyl)acetamide
CID 79983972
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate (CID 54894410) is ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate is CCOC(=O)C(NCC1CC1)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate?
The InChIKey is UCPAGLQANWYHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-14(17)13(15-9-10-3-4-10)11-5-7-12(16)8-6-11/h5-8,10,13,15-16H,2-4,9H2,1H3.
What are the key properties of ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate?
ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate has a molecular weight of 249.31 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(cyclopropylmethylamino)-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 54894410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).