2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate

C14H19NO3 — CID 106202712

IUPAC2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESNC(Cc1ccc(O)cc1)C(=O)OCCC1CC1
InChIInChI=1S/C14H19NO3/c15-13(9-11-3-5-12(16)6-4-11)14(17)18-8-7-10-1-2-10/h3-6,10,13,16H,1-2,7-9,15H2
InChIKeyJUULYIJNJFIDJT-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.61
Rot. Bonds6

About 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate

2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate (PubChem CID 106202712) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Name2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
PubChem CID106202712
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate
SMILESNC(Cc1ccc(O)cc1)C(=O)OCCC1CC1
InChIInChI=1S/C14H19NO3/c15-13(9-11-3-5-12(16)6-4-11)14(17)18-8-7-10-1-2-10/h3-6,10,13,16H,1-2,7-9,15H2
InChIKeyJUULYIJNJFIDJT-UHFFFAOYSA-N
XLogP1.61
TPSA72.55 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 ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoroethyl (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87854570
2-[(2-methylpropan-2-yl)oxy]ethyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 115942247
oxan-4-ylmethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 104905857
ethane;3-methylbutyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 142497424
3-(2-methoxyethoxy)propyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 103403094
(2S)-2-amino-3-[4-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxycyclohexyl]propanoic acid
CID 70505446
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
bromo (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 56980612
2-(2-methylpropoxy)ethyl (2R)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 106448218
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
[deuterio(fluoro)methyl] (2S)-2-amino-3-(4-hydroxyphenyl)propanoate
CID 87058877
(2R)-2-amino-N-[3-(cyclopropylmethoxy)propyl]-3-(4-hydroxyphenyl)propanamide
CID 104904734

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate (CID 106202712) is 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate is NC(Cc1ccc(O)cc1)C(=O)OCCC1CC1.
What is the InChIKey of 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
The InChIKey is JUULYIJNJFIDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c15-13(9-11-3-5-12(16)6-4-11)14(17)18-8-7-10-1-2-10/h3-6,10,13,16H,1-2,7-9,15H2.
What are the key properties of 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate?
2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl 2-amino-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 106202712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).