2-methylpentyl 3-amino-2-methylpropanoate

C10H21NO2 — CID 103284221

IUPAC2-methylpentyl 3-amino-2-methylpropanoate
SMILESCCCC(C)COC(=O)C(C)CN
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)7-13-10(12)9(3)6-11/h8-9H,4-7,11H2,1-3H3
InChIKeyKQAWVSBNKSOQFC-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.56
Rot. Bonds6

About 2-methylpentyl 3-amino-2-methylpropanoate

2-methylpentyl 3-amino-2-methylpropanoate (PubChem CID 103284221) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-methylpentyl 3-amino-2-methylpropanoate.

Molecular Properties

Compound Name2-methylpentyl 3-amino-2-methylpropanoate
PubChem CID103284221
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-methylpentyl 3-amino-2-methylpropanoate
SMILESCCCC(C)COC(=O)C(C)CN
InChIInChI=1S/C10H21NO2/c1-4-5-8(2)7-13-10(12)9(3)6-11/h8-9H,4-7,11H2,1-3H3
InChIKeyKQAWVSBNKSOQFC-UHFFFAOYSA-N
XLogP1.56
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
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

2-methylpentyl 2-aminopropanoate
CID 103284268
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
2-methylpentyl carbonofluoridate
CID 175528242
2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
1-(2-methylpentoxy)-1-oxopropane-2-sulfinic acid
CID 91216375
propyl 3-amino-2-methylpropanoate
CID 54192704
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-methyloctyl 2-methylbutanoate
CID 135224852
2-methylpentyl (3S)-3-(aminomethyl)-5-methylhexanoate
CID 103284167
bis(2-methylpentyl) heptanedioate
CID 91718408
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
2-propylpentyl 2-methylbutanoate
CID 155014190

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 3-amino-2-methylpropanoate?
The IUPAC name of 2-methylpentyl 3-amino-2-methylpropanoate (CID 103284221) is 2-methylpentyl 3-amino-2-methylpropanoate.
What is the SMILES notation for 2-methylpentyl 3-amino-2-methylpropanoate?
The canonical SMILES for 2-methylpentyl 3-amino-2-methylpropanoate is CCCC(C)COC(=O)C(C)CN.
What is the InChIKey of 2-methylpentyl 3-amino-2-methylpropanoate?
The InChIKey is KQAWVSBNKSOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-8(2)7-13-10(12)9(3)6-11/h8-9H,4-7,11H2,1-3H3.
What are the key properties of 2-methylpentyl 3-amino-2-methylpropanoate?
2-methylpentyl 3-amino-2-methylpropanoate has a molecular weight of 187.28 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 3-amino-2-methylpropanoate is sourced from PubChem (CID 103284221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).