methyl 4-amino-3-cyclopropyl-3-ethylpentanoate

C11H21NO2 — CID 66098958

IUPACmethyl 4-amino-3-cyclopropyl-3-ethylpentanoate
SMILESCCC(CC(=O)OC)(C(C)N)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-11(8(2)12,9-5-6-9)7-10(13)14-3/h8-9H,4-7,12H2,1-3H3
InChIKeyGZLLJHJBXWPCMM-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.70
Rot. Bonds5

About methyl 4-amino-3-cyclopropyl-3-ethylpentanoate

methyl 4-amino-3-cyclopropyl-3-ethylpentanoate (PubChem CID 66098958) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl 4-amino-3-cyclopropyl-3-ethylpentanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-cyclopropyl-3-ethylpentanoate
PubChem CID66098958
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl 4-amino-3-cyclopropyl-3-ethylpentanoate
SMILESCCC(CC(=O)OC)(C(C)N)C1CC1
InChIInChI=1S/C11H21NO2/c1-4-11(8(2)12,9-5-6-9)7-10(13)14-3/h8-9H,4-7,12H2,1-3H3
InChIKeyGZLLJHJBXWPCMM-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(1-aminoethyl)-5-methoxy-3,5-dimethylhexanoate
CID 66096228
methyl 2-hydroxy-2-[4-(2-methylbutan-2-yl)cyclohexyl]acetate
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methyl 3,5,5-trimethyl-3-propan-2-ylheptanoate
CID 89027208
methyl 3-(aminomethyl)-3,4-dimethylhexanoate
CID 66096199
methyl 3,3-dimethylpentanoate
CID 3757207
2-cyclopropyl-2-(2-methylpropylamino)butanamide
CID 64917197
trimethyl (2S,3R)-2-hydroxybutane-1,2,3-tricarboxylate
CID 12898019
methyl 3-cyclopentyl-4-hydroxy-3-methylbutanoate
CID 105452919
2-amino-2-cyclopropyl-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]propanamide
CID 103109023
2-amino-2-cyclopropyl-3-[1-methoxypropan-2-yl(methyl)amino]propanamide
CID 63909963
methyl 3-[(2-amino-2-cyclopropylpropanoyl)-(2-methylpropyl)amino]propanoate
CID 54872362
2-amino-N-(2-cyclopropylpropan-2-yl)-3-methylpentanamide
CID 103832973

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-cyclopropyl-3-ethylpentanoate?
The IUPAC name of methyl 4-amino-3-cyclopropyl-3-ethylpentanoate (CID 66098958) is methyl 4-amino-3-cyclopropyl-3-ethylpentanoate.
What is the SMILES notation for methyl 4-amino-3-cyclopropyl-3-ethylpentanoate?
The canonical SMILES for methyl 4-amino-3-cyclopropyl-3-ethylpentanoate is CCC(CC(=O)OC)(C(C)N)C1CC1.
What is the InChIKey of methyl 4-amino-3-cyclopropyl-3-ethylpentanoate?
The InChIKey is GZLLJHJBXWPCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-11(8(2)12,9-5-6-9)7-10(13)14-3/h8-9H,4-7,12H2,1-3H3.
What are the key properties of methyl 4-amino-3-cyclopropyl-3-ethylpentanoate?
methyl 4-amino-3-cyclopropyl-3-ethylpentanoate has a molecular weight of 199.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-cyclopropyl-3-ethylpentanoate is sourced from PubChem (CID 66098958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).