2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid

C9H13N3O2 — CID 107142821

IUPAC2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nn2cccc2)CNC1
InChIInChI=1S/C9H13N3O2/c13-8(14)5-9(6-10-7-9)11-12-3-1-2-4-12/h1-4,10-11H,5-7H2,(H,13,14)
InChIKeyJHBMGYZMNIGEIT-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.15
Rot. Bonds4

About 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid

2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid (PubChem CID 107142821) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
PubChem CID107142821
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(Nn2cccc2)CNC1
InChIInChI=1S/C9H13N3O2/c13-8(14)5-9(6-10-7-9)11-12-3-1-2-4-12/h1-4,10-11H,5-7H2,(H,13,14)
InChIKeyJHBMGYZMNIGEIT-UHFFFAOYSA-N
XLogP-0.15
TPSA66.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(1-pyrazol-1-ylpropan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142581
2-[3-[(2,2,3,3-tetramethylcyclopropyl)amino]azetidin-3-yl]acetic acid
CID 107142855
2-[3-(3-methylbutan-2-ylamino)azetidin-3-yl]acetic acid
CID 107142077
2-[3-(2,3-dihydro-1H-inden-2-ylamino)azetidin-3-yl]acetic acid
CID 107853795
2-[3-(3,5-difluoroanilino)azetidin-3-yl]acetic acid
CID 107142265
2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
CID 107142583
2-[3-(2-bromo-3-methylanilino)azetidin-3-yl]acetic acid
CID 107142956
2-[3-(cyclobutylamino)azetidin-3-yl]acetic acid
CID 107142652
2-[3-[1-(2-chlorophenyl)ethylamino]azetidin-3-yl]acetic acid
CID 107142528
2-[3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]azetidin-3-yl]acetic acid
CID 107143014
2-[3-(2-methylsulfanylpropylamino)azetidin-3-yl]acetic acid
CID 107143102
2-[3-(2-phenylpropylamino)azetidin-3-yl]acetic acid
CID 107143104

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid (CID 107142821) is 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid is O=C(O)CC1(Nn2cccc2)CNC1.
What is the InChIKey of 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid?
The InChIKey is JHBMGYZMNIGEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8(14)5-9(6-10-7-9)11-12-3-1-2-4-12/h1-4,10-11H,5-7H2,(H,13,14).
What are the key properties of 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid?
2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid has a molecular weight of 195.22 g/mol, XLogP of -0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyrrol-1-ylamino)azetidin-3-yl]acetic acid is sourced from PubChem (CID 107142821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).