methyl (3S)-3-(diethylamino)pentanoate

C10H21NO2 — CID 89089310

IUPACmethyl (3S)-3-(diethylamino)pentanoate
SMILESCC[C@@H](CC(=O)OC)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-5-9(8-10(12)13-4)11(6-2)7-3/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyIKWWVZBGZIIPLV-VIFPVBQESA-N
MW187.28 g/mol
LogP1.67
Rot. Bonds6

About methyl (3S)-3-(diethylamino)pentanoate

methyl (3S)-3-(diethylamino)pentanoate (PubChem CID 89089310) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is methyl (3S)-3-(diethylamino)pentanoate.

Molecular Properties

Compound Namemethyl (3S)-3-(diethylamino)pentanoate
PubChem CID89089310
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Namemethyl (3S)-3-(diethylamino)pentanoate
SMILESCC[C@@H](CC(=O)OC)N(CC)CC
InChIInChI=1S/C10H21NO2/c1-5-9(8-10(12)13-4)11(6-2)7-3/h9H,5-8H2,1-4H3/t9-/m0/s1
InChIKeyIKWWVZBGZIIPLV-VIFPVBQESA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-(diethylamino)pentanoate?
The IUPAC name of methyl (3S)-3-(diethylamino)pentanoate (CID 89089310) is methyl (3S)-3-(diethylamino)pentanoate.
What is the SMILES notation for methyl (3S)-3-(diethylamino)pentanoate?
The canonical SMILES for methyl (3S)-3-(diethylamino)pentanoate is CC[C@@H](CC(=O)OC)N(CC)CC.
What is the InChIKey of methyl (3S)-3-(diethylamino)pentanoate?
The InChIKey is IKWWVZBGZIIPLV-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2/c1-5-9(8-10(12)13-4)11(6-2)7-3/h9H,5-8H2,1-4H3/t9-/m0/s1.
What are the key properties of methyl (3S)-3-(diethylamino)pentanoate?
methyl (3S)-3-(diethylamino)pentanoate has a molecular weight of 187.28 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-(diethylamino)pentanoate is sourced from PubChem (CID 89089310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).