(3R)-3-azaniumyl-3-(furan-2-yl)propanoate

C7H9NO3 — CID 7145288

IUPAC(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccco1
InChIInChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m1/s1
InChIKeyYIKVKIOGYSPIMP-RXMQYKEDSA-N
MW155.15 g/mol
LogP-1.30
Rot. Bonds3

About (3R)-3-azaniumyl-3-(furan-2-yl)propanoate

(3R)-3-azaniumyl-3-(furan-2-yl)propanoate (PubChem CID 7145288) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (3R)-3-azaniumyl-3-(furan-2-yl)propanoate.

Molecular Properties

Compound Name(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
PubChem CID7145288
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(3R)-3-azaniumyl-3-(furan-2-yl)propanoate
SMILES[NH3+][C@H](CC(=O)[O-])c1ccco1
InChIInChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m1/s1
InChIKeyYIKVKIOGYSPIMP-RXMQYKEDSA-N
XLogP-1.30
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-3-(furan-2-yl)-4-methylpentanoate
CID 7258657
(3R)-3-(4-fluorophenyl)-3-(furan-2-yl)propanoate
CID 6935403
2-(furan-2-yl)-2-hydroxyacetate
CID 4549959
(3R)-3-azaniumyl-3-(2-fluorophenyl)propanoate
CID 7062294
(3S)-3-(furan-2-yl)-3-hydroxypropanoic acid
CID 69050344
3-[(4-bromophenyl)sulfonylamino]-3-(furan-2-yl)propanoate
CID 3651126
(3R)-3-azaniumyl-3-(2-ethylphenyl)propanoate
CID 7022685
(2R)-2-(furan-2-yl)butanedioic acid
CID 919498
3-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-(furan-2-yl)propanoate
CID 5152518
(2S)-2-(furan-2-carbonylamino)butanedioate
CID 6923142
2-(furan-2-yl)propanedioic acid
CID 19790856
(3R)-3-amino-3-(furan-2-yl)propanoic acid;hydrochloride
CID 155903198

Frequently Asked Questions

What is the IUPAC name of (3R)-3-azaniumyl-3-(furan-2-yl)propanoate?
The IUPAC name of (3R)-3-azaniumyl-3-(furan-2-yl)propanoate (CID 7145288) is (3R)-3-azaniumyl-3-(furan-2-yl)propanoate.
What is the SMILES notation for (3R)-3-azaniumyl-3-(furan-2-yl)propanoate?
The canonical SMILES for (3R)-3-azaniumyl-3-(furan-2-yl)propanoate is [NH3+][C@H](CC(=O)[O-])c1ccco1.
What is the InChIKey of (3R)-3-azaniumyl-3-(furan-2-yl)propanoate?
The InChIKey is YIKVKIOGYSPIMP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H9NO3/c8-5(4-7(9)10)6-2-1-3-11-6/h1-3,5H,4,8H2,(H,9,10)/t5-/m1/s1.
What are the key properties of (3R)-3-azaniumyl-3-(furan-2-yl)propanoate?
(3R)-3-azaniumyl-3-(furan-2-yl)propanoate has a molecular weight of 155.15 g/mol, XLogP of -1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-azaniumyl-3-(furan-2-yl)propanoate is sourced from PubChem (CID 7145288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).