methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate

C14H21NO4 — CID 116851597

IUPACmethyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-17-11-8-7-10(13(9-11)18-2)5-4-6-12(15)14(16)19-3/h7-9,12H,4-6,15H2,1-3H3
InChIKeyHRKFPTUYBGQBOZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.53
Rot. Bonds7

About methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate

methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate (PubChem CID 116851597) has the molecular formula C14H21NO4 and a molecular weight of 267.33 g/mol. Its IUPAC name is methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
PubChem CID116851597
Molecular FormulaC14H21NO4
Molecular Weight267.33 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate
SMILESCOC(=O)C(N)CCCc1ccc(OC)cc1OC
InChIInChI=1S/C14H21NO4/c1-17-11-8-7-10(13(9-11)18-2)5-4-6-12(15)14(16)19-3/h7-9,12H,4-6,15H2,1-3H3
InChIKeyHRKFPTUYBGQBOZ-UHFFFAOYSA-N
XLogP1.53
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-N-methoxybutanamide
CID 11608534
methyl (2S)-2-amino-5-[2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]pentanoate
CID 102285838
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
3-(2,4-dimethoxyphenyl)propane-1-thiol
CID 94681824
(4S)-4-amino-5-(2,4-dimethoxyphenyl)pentanoic acid
CID 27282138
N-[2-(2,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 110408765
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
(2,4-dimethoxyphenyl)methylurea
CID 53362457
methyl (2S)-2-amino-3-[3-[(2,4-dimethoxyphenyl)methoxy]-1,2-oxazol-5-yl]propanoate
CID 155776782

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate?
The IUPAC name of methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate (CID 116851597) is methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate.
What is the SMILES notation for methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate?
The canonical SMILES for methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate is COC(=O)C(N)CCCc1ccc(OC)cc1OC.
What is the InChIKey of methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate?
The InChIKey is HRKFPTUYBGQBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-17-11-8-7-10(13(9-11)18-2)5-4-6-12(15)14(16)19-3/h7-9,12H,4-6,15H2,1-3H3.
What are the key properties of methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate?
methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate has a molecular weight of 267.33 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(2,4-dimethoxyphenyl)pentanoate is sourced from PubChem (CID 116851597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).