2-propoxyethyl 2-amino-3-methylpentanoate

C11H23NO3 — CID 63684873

IUPAC2-propoxyethyl 2-amino-3-methylpentanoate
SMILESCCCOCCOC(=O)C(N)C(C)CC
InChIInChI=1S/C11H23NO3/c1-4-6-14-7-8-15-11(13)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3
InChIKeyDBMQSMFTXWAKOL-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.33
Rot. Bonds8

About 2-propoxyethyl 2-amino-3-methylpentanoate

2-propoxyethyl 2-amino-3-methylpentanoate (PubChem CID 63684873) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-propoxyethyl 2-amino-3-methylpentanoate.

Molecular Properties

Compound Name2-propoxyethyl 2-amino-3-methylpentanoate
PubChem CID63684873
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-propoxyethyl 2-amino-3-methylpentanoate
SMILESCCCOCCOC(=O)C(N)C(C)CC
InChIInChI=1S/C11H23NO3/c1-4-6-14-7-8-15-11(13)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3
InChIKeyDBMQSMFTXWAKOL-UHFFFAOYSA-N
XLogP1.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethyl (3R)-2-amino-3-methylpentanoate;hydrochloride
CID 169227139
tetradecyl (2S,3R)-2-amino-3-methylpentanoate
CID 6451751
dodecyl (2S)-2-amino-3-methylpentanoate
CID 88628969
3-methylbutyl (2S)-2-amino-3-methylpentanoate
CID 61279066
2-butoxyethyl (2R)-2-amino-3-methylbutanoate
CID 79009790
2-propoxyethyl 2-amino-4-methylpentanoate
CID 63685602
2-propoxyethyl 2-amino-3-hydroxypropanoate
CID 63685229
sodium;hexadecyl (2S,3S)-2-amino-3-methylpentanoate;hydride
CID 174767625
2-propoxyethyl 2-amino-3,3-dimethylbutanoate
CID 63687085
2-ethoxyethyl 2-amino-3-methylbutanoate
CID 61276999
2-cyclopropylethyl (2S,3S)-2-amino-3-methylpentanoate
CID 106202505
2-cyclopropylethyl 2-amino-3-methylpentanoate
CID 106202709

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl 2-amino-3-methylpentanoate?
The IUPAC name of 2-propoxyethyl 2-amino-3-methylpentanoate (CID 63684873) is 2-propoxyethyl 2-amino-3-methylpentanoate.
What is the SMILES notation for 2-propoxyethyl 2-amino-3-methylpentanoate?
The canonical SMILES for 2-propoxyethyl 2-amino-3-methylpentanoate is CCCOCCOC(=O)C(N)C(C)CC.
What is the InChIKey of 2-propoxyethyl 2-amino-3-methylpentanoate?
The InChIKey is DBMQSMFTXWAKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-4-6-14-7-8-15-11(13)10(12)9(3)5-2/h9-10H,4-8,12H2,1-3H3.
What are the key properties of 2-propoxyethyl 2-amino-3-methylpentanoate?
2-propoxyethyl 2-amino-3-methylpentanoate has a molecular weight of 217.31 g/mol, XLogP of 1.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl 2-amino-3-methylpentanoate is sourced from PubChem (CID 63684873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).