acetic acid;1-tert-butylpyrrolidin-3-amine

C10H22N2O2 — CID 22393538

IUPACacetic acid;1-tert-butylpyrrolidin-3-amine
SMILESCC(=O)O.CC(C)(C)N1CCC(N)C1
InChIInChI=1S/C8H18N2.C2H4O2/c1-8(2,3)10-5-4-7(9)6-10;1-2(3)4/h7H,4-6,9H2,1-3H3;1H3,(H,3,4)
InChIKeyJLMUVMBIBBARQV-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.91
Rot. Bonds

About acetic acid;1-tert-butylpyrrolidin-3-amine

acetic acid;1-tert-butylpyrrolidin-3-amine (PubChem CID 22393538) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is acetic acid;1-tert-butylpyrrolidin-3-amine.

Molecular Properties

Compound Nameacetic acid;1-tert-butylpyrrolidin-3-amine
PubChem CID22393538
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nameacetic acid;1-tert-butylpyrrolidin-3-amine
SMILESCC(=O)O.CC(C)(C)N1CCC(N)C1
InChIInChI=1S/C8H18N2.C2H4O2/c1-8(2,3)10-5-4-7(9)6-10;1-2(3)4/h7H,4-6,9H2,1-3H3;1H3,(H,3,4)
InChIKeyJLMUVMBIBBARQV-UHFFFAOYSA-N
XLogP0.91
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-tert-butylpyrrolidin-3-amine?
The IUPAC name of acetic acid;1-tert-butylpyrrolidin-3-amine (CID 22393538) is acetic acid;1-tert-butylpyrrolidin-3-amine.
What is the SMILES notation for acetic acid;1-tert-butylpyrrolidin-3-amine?
The canonical SMILES for acetic acid;1-tert-butylpyrrolidin-3-amine is CC(=O)O.CC(C)(C)N1CCC(N)C1.
What is the InChIKey of acetic acid;1-tert-butylpyrrolidin-3-amine?
The InChIKey is JLMUVMBIBBARQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2.C2H4O2/c1-8(2,3)10-5-4-7(9)6-10;1-2(3)4/h7H,4-6,9H2,1-3H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-tert-butylpyrrolidin-3-amine?
acetic acid;1-tert-butylpyrrolidin-3-amine has a molecular weight of 202.30 g/mol, XLogP of 0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-tert-butylpyrrolidin-3-amine is sourced from PubChem (CID 22393538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).