2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid

C9H14N2O3 — CID 130490582

IUPAC2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
SMILESO=C(O)CNC1CC(=O)N2CCCC12
InChIInChI=1S/C9H14N2O3/c12-8-4-6(10-5-9(13)14)7-2-1-3-11(7)8/h6-7,10H,1-5H2,(H,13,14)
InChIKeyYBVVUJRRUINRFW-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.58
Rot. Bonds3

About 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid

2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid (PubChem CID 130490582) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
PubChem CID130490582
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid
SMILESO=C(O)CNC1CC(=O)N2CCCC12
InChIInChI=1S/C9H14N2O3/c12-8-4-6(10-5-9(13)14)7-2-1-3-11(7)8/h6-7,10H,1-5H2,(H,13,14)
InChIKeyYBVVUJRRUINRFW-UHFFFAOYSA-N
XLogP-0.58
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]acetic acid
CID 130486929
1-hydrazinyl-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 130490616
1-(propylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 130486876
2-(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)acetic acid
CID 82399008
1-[(1,1-dioxothiolan-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238821
1-(3-butoxypropylamino)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238903
1-(3,3,3-trifluoropropylamino)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 114223375
1-[(1-methyl-1,2,4-triazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238950
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
1-[(3-methylphenyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238791
tert-butyl N-[3-[[(3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-1-yl)amino]methyl]pentan-3-yl]carbamate
CID 114223470
1-[(6-methyl-3-pyridinyl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238849

Frequently Asked Questions

What is the IUPAC name of 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid?
The IUPAC name of 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid (CID 130490582) is 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid is O=C(O)CNC1CC(=O)N2CCCC12.
What is the InChIKey of 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid?
The InChIKey is YBVVUJRRUINRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-8-4-6(10-5-9(13)14)7-2-1-3-11(7)8/h6-7,10H,1-5H2,(H,13,14).
What are the key properties of 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid?
2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid has a molecular weight of 198.22 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-oxo-1,2,5,6,7,8-hexahydropyrrolizin-1-yl)amino]acetic acid is sourced from PubChem (CID 130490582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).