(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate

C14H21NO3 — CID 112510480

IUPAC(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
SMILESCOc1ccc(COC(=O)C(C)N)cc1C(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)12-7-11(5-6-13(12)17-4)8-18-14(16)10(3)15/h5-7,9-10H,8,15H2,1-4H3
InChIKeyBTRJLKZOHKEIMJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.21
Rot. Bonds5

About (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate

(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate (PubChem CID 112510480) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate.

Molecular Properties

Compound Name(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
PubChem CID112510480
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Name(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
SMILESCOc1ccc(COC(=O)C(C)N)cc1C(C)C
InChIInChI=1S/C14H21NO3/c1-9(2)12-7-11(5-6-13(12)17-4)8-18-14(16)10(3)15/h5-7,9-10H,8,15H2,1-4H3
InChIKeyBTRJLKZOHKEIMJ-UHFFFAOYSA-N
XLogP2.21
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]acetic acid
CID 94769293
3-amino-3-[2-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117350559
2-[(4-methoxy-3-propan-2-ylphenyl)methoxy]ethanamine
CID 94768384
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
5-amino-5-(4-methoxy-3-propan-2-ylphenyl)pentan-2-one
CID 116940680
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
CID 115191802
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-(4-methoxy-3-propan-2-ylphenyl)butanoic acid
CID 10060027
methyl 3-(4-methoxy-3-propan-2-ylanilino)-3-oxopropanoate
CID 115174107
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
(4-methoxy-3-propan-2-ylphenyl)carbamothioic S-acid
CID 115169665
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate?
The IUPAC name of (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate (CID 112510480) is (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate.
What is the SMILES notation for (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate?
The canonical SMILES for (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate is COc1ccc(COC(=O)C(C)N)cc1C(C)C.
What is the InChIKey of (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate?
The InChIKey is BTRJLKZOHKEIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-9(2)12-7-11(5-6-13(12)17-4)8-18-14(16)10(3)15/h5-7,9-10H,8,15H2,1-4H3.
What are the key properties of (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate?
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate has a molecular weight of 251.33 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate is sourced from PubChem (CID 112510480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).