2-methylpentyl 2-aminopropanoate

C9H19NO2 — CID 103284268

IUPAC2-methylpentyl 2-aminopropanoate
SMILESCCCC(C)COC(=O)C(C)N
InChIInChI=1S/C9H19NO2/c1-4-5-7(2)6-12-9(11)8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyONXUGNUCMLNYAO-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.31
Rot. Bonds5

About 2-methylpentyl 2-aminopropanoate

2-methylpentyl 2-aminopropanoate (PubChem CID 103284268) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-methylpentyl 2-aminopropanoate.

Molecular Properties

Compound Name2-methylpentyl 2-aminopropanoate
PubChem CID103284268
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-methylpentyl 2-aminopropanoate
SMILESCCCC(C)COC(=O)C(C)N
InChIInChI=1S/C9H19NO2/c1-4-5-7(2)6-12-9(11)8(3)10/h7-8H,4-6,10H2,1-3H3
InChIKeyONXUGNUCMLNYAO-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

2-methylpentyl 2-amino-3-methylpentanoate
CID 103284350
2-methylpentyl 3-amino-2-methylpropanoate
CID 103284221
2-methylpentyl (2R)-2-amino-4-methylpentanoate
CID 103284088
2-methylpentyl carbonofluoridate
CID 175528242
1-(2-methylpentoxy)-1-oxopropane-2-sulfinic acid
CID 91216375
2-methylpentyl 4-amino-2-hydroxybutanoate
CID 107837690
2-methylpentyl 2-amino-5-methoxypentanoate
CID 103284131
ethyl (2R)-2-aminopropanoate;hydrochloride
CID 10236019
2-methylpentyl 2-hydroxy-2-methylpropanoate
CID 89018775
bis(2-methylpentyl) heptanedioate
CID 91718408
2-amino-3-(2-methylpentoxy)propanoic acid
CID 103282764
ethyl (2S)-2-aminopropanoate;molecular hydrogen
CID 145195719

Frequently Asked Questions

What is the IUPAC name of 2-methylpentyl 2-aminopropanoate?
The IUPAC name of 2-methylpentyl 2-aminopropanoate (CID 103284268) is 2-methylpentyl 2-aminopropanoate.
What is the SMILES notation for 2-methylpentyl 2-aminopropanoate?
The canonical SMILES for 2-methylpentyl 2-aminopropanoate is CCCC(C)COC(=O)C(C)N.
What is the InChIKey of 2-methylpentyl 2-aminopropanoate?
The InChIKey is ONXUGNUCMLNYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-4-5-7(2)6-12-9(11)8(3)10/h7-8H,4-6,10H2,1-3H3.
What are the key properties of 2-methylpentyl 2-aminopropanoate?
2-methylpentyl 2-aminopropanoate has a molecular weight of 173.26 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpentyl 2-aminopropanoate is sourced from PubChem (CID 103284268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).