methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate

C16H25NO5 — CID 177159646

IUPACmethyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.COC(=O)C(N)C(C)C
InChIInChI=1S/C10H12O3.C6H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-4(2)5(7)6(8)9-3/h3-6,11H,2,7H2,1H3;4-5H,7H2,1-3H3
InChIKeyQKASABVYEAJLJG-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.10
Rot. Bonds5

About methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate

methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate (PubChem CID 177159646) has the molecular formula C16H25NO5 and a molecular weight of 311.38 g/mol. Its IUPAC name is methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate
PubChem CID177159646
Molecular FormulaC16H25NO5
Molecular Weight311.38 g/mol
Exact Mass311.17
IUPAC Namemethyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate
SMILESCCCOC(=O)c1ccc(O)cc1.COC(=O)C(N)C(C)C
InChIInChI=1S/C10H12O3.C6H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-4(2)5(7)6(8)9-3/h3-6,11H,2,7H2,1H3;4-5H,7H2,1-3H3
InChIKeyQKASABVYEAJLJG-UHFFFAOYSA-N
XLogP2.10
TPSA98.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

propyl 4-hydroxybenzoate
CID 66683808
copper;methyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 159081136
bis(propyl 4-hydroxybenzoate);zinc
CID 131880799
benzene-1,2-diol;propyl 4-hydroxybenzoate
CID 70157897
prop-1-ene;propyl 4-hydroxybenzoate
CID 67107873
butyl 4-hydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carboxylate
CID 117065204
4-phenylphenol;propyl 4-hydroxybenzoate
CID 174901062
butyl 4-hydroxybenzoate;ethyl 4-hydroxybenzoate;propyl 4-hydroxybenzoate
CID 118197225
4-O-(2-methoxyethyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730612
propyl 4-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316672
ethane;propyl 4-propan-2-ylbenzoate
CID 164925093
4-O-(2-ethylbutyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730701

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate?
The IUPAC name of methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate (CID 177159646) is methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate.
What is the SMILES notation for methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate?
The canonical SMILES for methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate is CCCOC(=O)c1ccc(O)cc1.COC(=O)C(N)C(C)C.
What is the InChIKey of methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate?
The InChIKey is QKASABVYEAJLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3.C6H13NO2/c1-2-7-13-10(12)8-3-5-9(11)6-4-8;1-4(2)5(7)6(8)9-3/h3-6,11H,2,7H2,1H3;4-5H,7H2,1-3H3.
What are the key properties of methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate?
methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate has a molecular weight of 311.38 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-methylbutanoate;propyl 4-hydroxybenzoate is sourced from PubChem (CID 177159646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).