methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate

C14H21NO3 — CID 66097697

IUPACmethyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
SMILESCOCc1ccc(C(CC(=O)OC)C(C)N)cc1
InChIInChI=1S/C14H21NO3/c1-10(15)13(8-14(16)18-3)12-6-4-11(5-7-12)9-17-2/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyDOYAFVVPNLKAOO-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.83
Rot. Bonds6

About methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate

methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate (PubChem CID 66097697) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
PubChem CID66097697
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate
SMILESCOCc1ccc(C(CC(=O)OC)C(C)N)cc1
InChIInChI=1S/C14H21NO3/c1-10(15)13(8-14(16)18-3)12-6-4-11(5-7-12)9-17-2/h4-7,10,13H,8-9,15H2,1-3H3
InChIKeyDOYAFVVPNLKAOO-UHFFFAOYSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3R)-3-amino-3-[4-(methoxymethyl)phenyl]propanoate
CID 79013708
methyl 4-amino-3-[4-(trifluoromethyl)phenyl]pentanoate
CID 66098530
methyl 4-amino-3-(6-methyl-3-pyridinyl)pentanoate
CID 104823955
2-amino-1-[4-(methoxymethyl)phenyl]propan-1-one
CID 76541422
2-[4-(methoxymethyl)phenyl]propanehydrazide
CID 105351367
methyl (3S)-3-amino-3-[4-(2-methylpropyl)phenyl]propanoate
CID 79018358
methyl 4-[(1R)-1-amino-3-methoxy-3-oxopropyl]benzoate
CID 171250582
dimethyl (3R,4R)-3,4-diphenylhexanedioate
CID 10969442
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl (3R)-3-[(4-methoxyphenyl)methoxy]butanoate
CID 10799944
4-amino-3-[4-(methoxymethyl)phenyl]butanoic acid
CID 66098947
4-amino-4-[4-(methoxymethyl)phenyl]butanoic acid
CID 117319626

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate?
The IUPAC name of methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate (CID 66097697) is methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate.
What is the SMILES notation for methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate?
The canonical SMILES for methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate is COCc1ccc(C(CC(=O)OC)C(C)N)cc1.
What is the InChIKey of methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate?
The InChIKey is DOYAFVVPNLKAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(15)13(8-14(16)18-3)12-6-4-11(5-7-12)9-17-2/h4-7,10,13H,8-9,15H2,1-3H3.
What are the key properties of methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate?
methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate has a molecular weight of 251.33 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-[4-(methoxymethyl)phenyl]pentanoate is sourced from PubChem (CID 66097697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).