acetic acid;2-amino-1-pyrrolidin-1-ylethanone

C8H16N2O3 — CID 143961420

IUPACacetic acid;2-amino-1-pyrrolidin-1-ylethanone
SMILESCC(=O)O.NCC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O.C2H4O2/c7-5-6(9)8-3-1-2-4-8;1-2(3)4/h1-5,7H2;1H3,(H,3,4)
InChIKeyNAZSWKNYJRUHMO-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.34
Rot. Bonds1

About acetic acid;2-amino-1-pyrrolidin-1-ylethanone

acetic acid;2-amino-1-pyrrolidin-1-ylethanone (PubChem CID 143961420) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is acetic acid;2-amino-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Nameacetic acid;2-amino-1-pyrrolidin-1-ylethanone
PubChem CID143961420
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Nameacetic acid;2-amino-1-pyrrolidin-1-ylethanone
SMILESCC(=O)O.NCC(=O)N1CCCC1
InChIInChI=1S/C6H12N2O.C2H4O2/c7-5-6(9)8-3-1-2-4-8;1-2(3)4/h1-5,7H2;1H3,(H,3,4)
InChIKeyNAZSWKNYJRUHMO-UHFFFAOYSA-N
XLogP-0.34
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-amino-1-pyrrolidin-1-ylethanone?
The IUPAC name of acetic acid;2-amino-1-pyrrolidin-1-ylethanone (CID 143961420) is acetic acid;2-amino-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for acetic acid;2-amino-1-pyrrolidin-1-ylethanone?
The canonical SMILES for acetic acid;2-amino-1-pyrrolidin-1-ylethanone is CC(=O)O.NCC(=O)N1CCCC1.
What is the InChIKey of acetic acid;2-amino-1-pyrrolidin-1-ylethanone?
The InChIKey is NAZSWKNYJRUHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C2H4O2/c7-5-6(9)8-3-1-2-4-8;1-2(3)4/h1-5,7H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-amino-1-pyrrolidin-1-ylethanone?
acetic acid;2-amino-1-pyrrolidin-1-ylethanone has a molecular weight of 188.23 g/mol, XLogP of -0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-amino-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 143961420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).