ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate

C19H24N2O3 — CID 101157279

IUPACethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(22)13-18(17-7-5-6-12-20-17)21-14(2)15-8-10-16(23-3)11-9-15/h5-12,14,18,21H,4,13H2,1-3H3/t14-,18-/m0/s1
InChIKeyVPZKYCQORYVQFH-KSSFIOAISA-N
MW328.41 g/mol
LogP3.44
Rot. Bonds8

About ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate

ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate (PubChem CID 101157279) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
PubChem CID101157279
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Nameethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)C[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccn1
InChIInChI=1S/C19H24N2O3/c1-4-24-19(22)13-18(17-7-5-6-12-20-17)21-14(2)15-8-10-16(23-3)11-9-15/h5-12,14,18,21H,4,13H2,1-3H3/t14-,18-/m0/s1
InChIKeyVPZKYCQORYVQFH-KSSFIOAISA-N
XLogP3.44
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-phenyl-3-(1-phenylethylamino)propanoate
CID 76738630
methyl 3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-3-ylpropanoate
CID 15544536
ethyl 2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoate
CID 81370863
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
ethyl 3-(ethylamino)-3-(4-methoxyphenyl)propanoate
CID 65233826
1-(4-methoxyphenyl)-1-pyridin-2-ylpropan-2-one
CID 174924212
ethyl 3-[[(1S)-1-pyridin-2-ylethyl]amino]propanoate
CID 81401378
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
ethyl (2R,3S)-2-deuterio-3-[[(1R)-1-phenylethyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 10873161
methyl N-[2-(4-methoxyphenyl)-2-pyridin-2-ylethyl]carbamate
CID 16928325
ethyl 3-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]propanoate
CID 4042935
N-(4-methoxyphenyl)-2-[[(1S)-1-pyridin-2-ylethyl]amino]acetamide
CID 81393069

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate (CID 101157279) is ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate is CCOC(=O)C[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccccn1.
What is the InChIKey of ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate?
The InChIKey is VPZKYCQORYVQFH-KSSFIOAISA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-19(22)13-18(17-7-5-6-12-20-17)21-14(2)15-8-10-16(23-3)11-9-15/h5-12,14,18,21H,4,13H2,1-3H3/t14-,18-/m0/s1.
What are the key properties of ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate?
ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate has a molecular weight of 328.41 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 101157279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).