methyl 4-amino-3-ethyl-4-methylpentanoate

C9H19NO2 — CID 66099233

IUPACmethyl 4-amino-3-ethyl-4-methylpentanoate
SMILESCCC(CC(=O)OC)C(C)(C)N
InChIInChI=1S/C9H19NO2/c1-5-7(9(2,3)10)6-8(11)12-4/h7H,5-6,10H2,1-4H3
InChIKeyLBHIYVOEPXWRDP-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds4

About methyl 4-amino-3-ethyl-4-methylpentanoate

methyl 4-amino-3-ethyl-4-methylpentanoate (PubChem CID 66099233) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is methyl 4-amino-3-ethyl-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-ethyl-4-methylpentanoate
PubChem CID66099233
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Namemethyl 4-amino-3-ethyl-4-methylpentanoate
SMILESCCC(CC(=O)OC)C(C)(C)N
InChIInChI=1S/C9H19NO2/c1-5-7(9(2,3)10)6-8(11)12-4/h7H,5-6,10H2,1-4H3
InChIKeyLBHIYVOEPXWRDP-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(2-aminopropan-2-yl)-5-methoxy-5-methylhexanoate
CID 106676539
methyl (3R)-3-amino-4-ethylhexanoate
CID 104941142
methyl 5,5-dimethyl-3-(2-methylbutan-2-yl)heptanoate
CID 88529536
5-O-ethyl 1-O-methyl 2,2,3-triethylpentanedioate
CID 102123009
methyl 4-amino-3-(1-methoxypropan-2-yl)-4-methylpentanoate
CID 116503398
methyl 3-(aminomethyl)pentanoate
CID 66099134
1-O,1-O-ditert-butyl 2-O-methyl ethane-1,1,2-tricarboxylate
CID 13042474
dimethyl 2,2-dibromo-3-(2-methoxy-2-oxoethyl)pentanedioate
CID 10691777
(2S)-2-(2-methoxy-2-oxoethyl)-3-methylpentanoic acid
CID 158850250
trimethyl hexane-1,2,4-tricarboxylate
CID 58784992
methyl 4-amino-3-cyclooctyl-4-methylpentanoate
CID 114207967
dimethyl 5-ethyl-3,3-dimethylheptanedioate
CID 123685679

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-ethyl-4-methylpentanoate?
The IUPAC name of methyl 4-amino-3-ethyl-4-methylpentanoate (CID 66099233) is methyl 4-amino-3-ethyl-4-methylpentanoate.
What is the SMILES notation for methyl 4-amino-3-ethyl-4-methylpentanoate?
The canonical SMILES for methyl 4-amino-3-ethyl-4-methylpentanoate is CCC(CC(=O)OC)C(C)(C)N.
What is the InChIKey of methyl 4-amino-3-ethyl-4-methylpentanoate?
The InChIKey is LBHIYVOEPXWRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-7(9(2,3)10)6-8(11)12-4/h7H,5-6,10H2,1-4H3.
What are the key properties of methyl 4-amino-3-ethyl-4-methylpentanoate?
methyl 4-amino-3-ethyl-4-methylpentanoate has a molecular weight of 173.26 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-ethyl-4-methylpentanoate is sourced from PubChem (CID 66099233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).