3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide

C10H20N2O2 — CID 61039396

IUPAC3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-8(11)7-10(13)12-5-4-9-3-2-6-14-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyIALPUTXUSPAKFW-UHFFFAOYSA-N
MW200.28 g/mol
LogP0.41
Rot. Bonds5

About 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide

3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide (PubChem CID 61039396) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide
PubChem CID61039396
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCC1CCCO1
InChIInChI=1S/C10H20N2O2/c1-8(11)7-10(13)12-5-4-9-3-2-6-14-9/h8-9H,2-7,11H2,1H3,(H,12,13)
InChIKeyIALPUTXUSPAKFW-UHFFFAOYSA-N
XLogP0.41
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide (CID 61039396) is 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide is CC(N)CC(=O)NCCC1CCCO1.
What is the InChIKey of 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide?
The InChIKey is IALPUTXUSPAKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11)7-10(13)12-5-4-9-3-2-6-14-9/h8-9H,2-7,11H2,1H3,(H,12,13).
What are the key properties of 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide?
3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide has a molecular weight of 200.28 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(oxolan-2-yl)ethyl]butanamide is sourced from PubChem (CID 61039396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).