(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one

C15H30N2O2 — CID 119042678

IUPAC(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one
SMILESCCCOC1CCCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-4-10-19-13-6-5-8-17(9-7-13)15(18)14(16)11-12(2)3/h12-14H,4-11,16H2,1-3H3/t13?,14-/m0/s1
InChIKeyPYUAXDIJVQKQJM-KZUDCZAMSA-N
MW270.42 g/mol
LogP2.17
Rot. Bonds6

About (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one

(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one (PubChem CID 119042678) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one
PubChem CID119042678
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one
SMILESCCCOC1CCCN(C(=O)[C@@H](N)CC(C)C)CC1
InChIInChI=1S/C15H30N2O2/c1-4-10-19-13-6-5-8-17(9-7-13)15(18)14(16)11-12(2)3/h12-14H,4-11,16H2,1-3H3/t13?,14-/m0/s1
InChIKeyPYUAXDIJVQKQJM-KZUDCZAMSA-N
XLogP2.17
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one?
The IUPAC name of (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one (CID 119042678) is (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one.
What is the SMILES notation for (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one?
The canonical SMILES for (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one is CCCOC1CCCN(C(=O)[C@@H](N)CC(C)C)CC1.
What is the InChIKey of (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one?
The InChIKey is PYUAXDIJVQKQJM-KZUDCZAMSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-4-10-19-13-6-5-8-17(9-7-13)15(18)14(16)11-12(2)3/h12-14H,4-11,16H2,1-3H3/t13?,14-/m0/s1.
What are the key properties of (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one?
(2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one has a molecular weight of 270.42 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-methyl-1-(4-propoxyazepan-1-yl)pentan-1-one is sourced from PubChem (CID 119042678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).