1-ethoxypropan-2-yl 2-amino-2-methylpentanoate

C11H23NO3 — CID 103489152

IUPAC1-ethoxypropan-2-yl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC(C)COCC
InChIInChI=1S/C11H23NO3/c1-5-7-11(4,12)10(13)15-9(3)8-14-6-2/h9H,5-8,12H2,1-4H3
InChIKeyHTSDTUARRQIDCG-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.47
Rot. Bonds7

About 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate

1-ethoxypropan-2-yl 2-amino-2-methylpentanoate (PubChem CID 103489152) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate.

Molecular Properties

Compound Name1-ethoxypropan-2-yl 2-amino-2-methylpentanoate
PubChem CID103489152
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name1-ethoxypropan-2-yl 2-amino-2-methylpentanoate
SMILESCCCC(C)(N)C(=O)OC(C)COCC
InChIInChI=1S/C11H23NO3/c1-5-7-11(4,12)10(13)15-9(3)8-14-6-2/h9H,5-8,12H2,1-4H3
InChIKeyHTSDTUARRQIDCG-UHFFFAOYSA-N
XLogP1.47
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propan-2-yl 1-aminocyclobutane-1-carboxylate hydrochloride
CID 134284327
d-Leucine isopropyl ester
CID 14178476
l-Leucine 2-propoxyethyl ester
CID 78948140
Ethyl 2-amino-2-ethyl-4-methylpentanoate
CID 86211634
Propan-2-yl (2S)-2-amino-4-methylpentanoate
CID 14178475
Propan-2-yl 1-aminocyclobutane-1-carboxylate
CID 81161221
Propan-2-yl 2-amino-4-methylpentanoate
CID 2827651
Norvaline, 2-propyl-, ethyl ester
CID 575027
Ethyl (S)-2-amino-2,4-dimethylpentanoate
CID 154729895
2-methoxyethyl (2S)-2-amino-4-methylpentanoate
CID 10489401
Methyl 2-amino-2,4-dimethylpentanoate
CID 13687230
L-alpha-Methylleucine methyl ester
CID 13687231

Frequently Asked Questions

What is the IUPAC name of 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate?
The IUPAC name of 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate (CID 103489152) is 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate.
What is the SMILES notation for 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate?
The canonical SMILES for 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate is CCCC(C)(N)C(=O)OC(C)COCC.
What is the InChIKey of 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate?
The InChIKey is HTSDTUARRQIDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-5-7-11(4,12)10(13)15-9(3)8-14-6-2/h9H,5-8,12H2,1-4H3.
What are the key properties of 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate?
1-ethoxypropan-2-yl 2-amino-2-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxypropan-2-yl 2-amino-2-methylpentanoate is sourced from PubChem (CID 103489152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).