2-[(5-chlorofuran-2-yl)methylamino]acetic acid

C7H8ClNO3 — CID 60769646

IUPAC2-[(5-chlorofuran-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO3/c8-6-2-1-5(12-6)3-9-4-7(10)11/h1-2,9H,3-4H2,(H,10,11)
InChIKeyGTMJCDFBRWLEHZ-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.11
Rot. Bonds4

About 2-[(5-chlorofuran-2-yl)methylamino]acetic acid

2-[(5-chlorofuran-2-yl)methylamino]acetic acid (PubChem CID 60769646) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 2-[(5-chlorofuran-2-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(5-chlorofuran-2-yl)methylamino]acetic acid
PubChem CID60769646
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name2-[(5-chlorofuran-2-yl)methylamino]acetic acid
SMILESO=C(O)CNCc1ccc(Cl)o1
InChIInChI=1S/C7H8ClNO3/c8-6-2-1-5(12-6)3-9-4-7(10)11/h1-2,9H,3-4H2,(H,10,11)
InChIKeyGTMJCDFBRWLEHZ-UHFFFAOYSA-N
XLogP1.11
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(5-chlorofuran-2-yl)methyl]acetamide
CID 131182868
2-[[5-(2,4-dibromophenyl)furan-2-yl]methylamino]acetic acid
CID 66527849
4-[[(5-chlorofuran-2-yl)methylamino]methyl]phenol
CID 115572171
4-[(5-chlorofuran-2-yl)methylamino]-N,N-dimethylbutanamide;hydrochloride
CID 115595769
[1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358933
1-[[(5-chlorofuran-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 115621585
2-(1,2-oxazol-5-ylmethylamino)acetic acid
CID 43466227
1-(4-bromophenyl)-N-[(5-chlorofuran-2-yl)methyl]methanamine
CID 60658991
3-[[5-(2-chlorophenyl)furan-2-yl]methylamino]propanoic acid
CID 102536585
ethyl 4-[(5-chlorofuran-2-yl)methylamino]butanoate
CID 60696105
2-[2-[(5-chlorofuran-2-yl)methylamino]ethoxy]ethanol
CID 60663886
1-tert-butyl-3-[(5-chlorofuran-2-yl)methyl]urea
CID 110748926

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]acetic acid?
The IUPAC name of 2-[(5-chlorofuran-2-yl)methylamino]acetic acid (CID 60769646) is 2-[(5-chlorofuran-2-yl)methylamino]acetic acid.
What is the SMILES notation for 2-[(5-chlorofuran-2-yl)methylamino]acetic acid?
The canonical SMILES for 2-[(5-chlorofuran-2-yl)methylamino]acetic acid is O=C(O)CNCc1ccc(Cl)o1.
What is the InChIKey of 2-[(5-chlorofuran-2-yl)methylamino]acetic acid?
The InChIKey is GTMJCDFBRWLEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c8-6-2-1-5(12-6)3-9-4-7(10)11/h1-2,9H,3-4H2,(H,10,11).
What are the key properties of 2-[(5-chlorofuran-2-yl)methylamino]acetic acid?
2-[(5-chlorofuran-2-yl)methylamino]acetic acid has a molecular weight of 189.60 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorofuran-2-yl)methylamino]acetic acid is sourced from PubChem (CID 60769646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).