ethyl 5-amino-2,2,4-trimethylpentanoate

C10H21NO2 — CID 123521553

IUPACethyl 5-amino-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)CC(C)CN
InChIInChI=1S/C10H21NO2/c1-5-13-9(12)10(3,4)6-8(2)7-11/h8H,5-7,11H2,1-4H3
InChIKeyQIODCRRYRKUMKB-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.56
Rot. Bonds5

About ethyl 5-amino-2,2,4-trimethylpentanoate

ethyl 5-amino-2,2,4-trimethylpentanoate (PubChem CID 123521553) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethyl 5-amino-2,2,4-trimethylpentanoate.

Molecular Properties

Compound Nameethyl 5-amino-2,2,4-trimethylpentanoate
PubChem CID123521553
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Nameethyl 5-amino-2,2,4-trimethylpentanoate
SMILESCCOC(=O)C(C)(C)CC(C)CN
InChIInChI=1S/C10H21NO2/c1-5-13-9(12)10(3,4)6-8(2)7-11/h8H,5-7,11H2,1-4H3
InChIKeyQIODCRRYRKUMKB-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 3-(1-ethoxy-2-methyl-1-oxopropan-2-yl)-2,2,5,5-tetramethylhexanedioate
CID 141254947
ethyl 2,2,5-trimethyl-4-oxohexanoate
CID 59702392
ethyl 4-amino-7-(diethylamino)-2,2-dimethyl-7-oxoheptanoate
CID 164685011
ethyl 2,2,5,5-tetramethyl-4-oxohexanoate
CID 88882076
ethyl 3-(3-ethoxy-2,2-dimethyl-3-oxopropoxy)carbonyloxy-2,2-dimethylpropanoate
CID 87257255
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
ethyl (2R,3R)-2-amino-3-hydroxy-2-methylbutanoate
CID 131230217
6-O-decyl 1-O-octyl (4R)-2,2,4-trimethylhexanedioate
CID 3084706
ethyl 2,2-dimethylpropanoate;hydrochloride
CID 141019550
ethyl 3,3-dimethyl-2-propan-2-ylbutanoate
CID 523552
ethyl (2S)-2-amino-2-methyl-3-sulfanylpropanoate
CID 45082477
ethyl 2-(aminomethyl)-4,4-difluoro-2-methylbutanoate
CID 106486941

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2,2,4-trimethylpentanoate?
The IUPAC name of ethyl 5-amino-2,2,4-trimethylpentanoate (CID 123521553) is ethyl 5-amino-2,2,4-trimethylpentanoate.
What is the SMILES notation for ethyl 5-amino-2,2,4-trimethylpentanoate?
The canonical SMILES for ethyl 5-amino-2,2,4-trimethylpentanoate is CCOC(=O)C(C)(C)CC(C)CN.
What is the InChIKey of ethyl 5-amino-2,2,4-trimethylpentanoate?
The InChIKey is QIODCRRYRKUMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-13-9(12)10(3,4)6-8(2)7-11/h8H,5-7,11H2,1-4H3.
What are the key properties of ethyl 5-amino-2,2,4-trimethylpentanoate?
ethyl 5-amino-2,2,4-trimethylpentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2,2,4-trimethylpentanoate is sourced from PubChem (CID 123521553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).