ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate

C14H21NO3 — CID 4201753

IUPACethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)9-13(15)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyQDNYKOJFKVMHBU-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds6

About ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate

ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate (PubChem CID 4201753) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
PubChem CID4201753
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate
SMILESCCOC(=O)CC(N)c1ccc(OC(C)C)cc1
InChIInChI=1S/C14H21NO3/c1-4-17-14(16)9-13(15)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13H,4,9,15H2,1-3H3
InChIKeyQDNYKOJFKVMHBU-UHFFFAOYSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-amino-3-[4-(difluoromethoxy)phenyl]propanoate
CID 43147898
3-amino-N,N-dimethyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 116850305
ethyl 3-amino-3-(4-aminophenyl)propanoate
CID 90765917
ethyl 3-amino-3-(4-butoxyphenyl)propanoate
CID 4715172
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 3-amino-3-(4-chlorophenyl)propanoate;hydrochloride
CID 2847356
ethyl 2-(dimethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 116914253
ethyl (3S)-3-amino-3-(4-phenylphenyl)propanoate
CID 29059678
ethyl (3S)-3-amino-3-[4-[4-(trifluoromethoxy)phenyl]phenyl]propanoate
CID 154815468
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
ethyl 2-(ethylamino)-2-(4-propan-2-yloxyphenyl)acetate
CID 54932724
methyl (3R)-3-amino-3-(4-ethoxyphenyl)propanoate;hydrochloride
CID 171246532

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The IUPAC name of ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate (CID 4201753) is ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The canonical SMILES for ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate is CCOC(=O)CC(N)c1ccc(OC(C)C)cc1.
What is the InChIKey of ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate?
The InChIKey is QDNYKOJFKVMHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-4-17-14(16)9-13(15)11-5-7-12(8-6-11)18-10(2)3/h5-8,10,13H,4,9,15H2,1-3H3.
What are the key properties of ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate?
ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-3-(4-propan-2-yloxyphenyl)propanoate is sourced from PubChem (CID 4201753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).