(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine

C10H21NO2 — CID 90441507

IUPAC(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine
SMILESCCO[C@H]1C(N)COC1C(C)CC
InChIInChI=1S/C10H21NO2/c1-4-7(3)9-10(12-5-2)8(11)6-13-9/h7-10H,4-6,11H2,1-3H3/t7?,8?,9?,10-/m0/s1
InChIKeyQDNQKNZLGMMUFB-VVIYDGDNSA-N
MW187.28 g/mol
LogP1.16
Rot. Bonds4

About (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine

(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine (PubChem CID 90441507) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine.

Molecular Properties

Compound Name(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine
PubChem CID90441507
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine
SMILESCCO[C@H]1C(N)COC1C(C)CC
InChIInChI=1S/C10H21NO2/c1-4-7(3)9-10(12-5-2)8(11)6-13-9/h7-10H,4-6,11H2,1-3H3/t7?,8?,9?,10-/m0/s1
InChIKeyQDNQKNZLGMMUFB-VVIYDGDNSA-N
XLogP1.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine?
The IUPAC name of (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine (CID 90441507) is (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine.
What is the SMILES notation for (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine?
The canonical SMILES for (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine is CCO[C@H]1C(N)COC1C(C)CC.
What is the InChIKey of (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine?
The InChIKey is QDNQKNZLGMMUFB-VVIYDGDNSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-7(3)9-10(12-5-2)8(11)6-13-9/h7-10H,4-6,11H2,1-3H3/t7?,8?,9?,10-/m0/s1.
What are the key properties of (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine?
(4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine has a molecular weight of 187.28 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-butan-2-yl-4-ethoxyoxolan-3-amine is sourced from PubChem (CID 90441507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).