(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide

C15H22N2O3 — CID 104904745

IUPAC(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](N)Cc1ccc(O)cc1)C1CCCO1
InChIInChI=1S/C15H22N2O3/c1-10(14-3-2-8-20-14)17-15(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3,(H,17,19)/t10?,13-,14?/m1/s1
InChIKeyJAJVDCDHAYOEAC-IWXRYERYSA-N
MW278.35 g/mol
LogP0.95
Rot. Bonds5

About (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide

(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide (PubChem CID 104904745) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
PubChem CID104904745
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide
SMILESCC(NC(=O)[C@H](N)Cc1ccc(O)cc1)C1CCCO1
InChIInChI=1S/C15H22N2O3/c1-10(14-3-2-8-20-14)17-15(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3,(H,17,19)/t10?,13-,14?/m1/s1
InChIKeyJAJVDCDHAYOEAC-IWXRYERYSA-N
XLogP0.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-[1-(oxolan-2-yl)ethyl]-3-phenylpropanamide
CID 78985428
(2S)-2-amino-N-(1-cyclobutylethyl)-3-(4-hydroxyphenyl)propanamide
CID 104871348
2-amino-N-[1-(oxolan-2-yl)ethyl]-4-phenylbutanamide
CID 114925311
2-amino-N-cycloheptyl-3-(4-hydroxyphenyl)propanamide
CID 76892756
(2S)-2-amino-N-cyclohexyl-3-(4-hydroxyphenyl)propanamide
CID 61148836
2-(4-aminophenyl)-N-[1-(oxolan-2-yl)ethyl]acetamide
CID 43533745
(2S)-2-amino-3-(1-benzylimidazol-4-yl)-N-[1-(oxolan-2-yl)ethyl]propanamide;dihydrochloride
CID 119728584
(2R)-2-amino-N-(2-hydroxycyclohexyl)-3-(4-hydroxyphenyl)propanamide
CID 104905091
2-amino-N-[1-(oxolan-2-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119292175
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 91661831
2-(4-chlorophenyl)-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]acetamide
CID 42563052
4-(chloromethyl)-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 43533877

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The IUPAC name of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide (CID 104904745) is (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide.
What is the SMILES notation for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The canonical SMILES for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide is CC(NC(=O)[C@H](N)Cc1ccc(O)cc1)C1CCCO1.
What is the InChIKey of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide?
The InChIKey is JAJVDCDHAYOEAC-IWXRYERYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(14-3-2-8-20-14)17-15(19)13(16)9-11-4-6-12(18)7-5-11/h4-7,10,13-14,18H,2-3,8-9,16H2,1H3,(H,17,19)/t10?,13-,14?/m1/s1.
What are the key properties of (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide?
(2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide has a molecular weight of 278.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-hydroxyphenyl)-N-[1-(oxolan-2-yl)ethyl]propanamide is sourced from PubChem (CID 104904745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).