2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid

C10H13NO5 — CID 81408914

IUPAC2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESC[C@@H](NC(=O)COCC(=O)O)c1ccco1
InChIInChI=1S/C10H13NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyRAXYCSCVUZJECR-SSDOTTSWSA-N
MW227.22 g/mol
LogP0.56
Rot. Bonds6

About 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid

2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 81408914) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
PubChem CID81408914
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
SMILESC[C@@H](NC(=O)COCC(=O)O)c1ccco1
InChIInChI=1S/C10H13NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1
InChIKeyRAXYCSCVUZJECR-SSDOTTSWSA-N
XLogP0.56
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103940583
4-[1-(furan-2-yl)ethylamino]-4-oxobutanoic acid
CID 43535656
2-[2-[1-(furan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79464025
2-[[2-[1-(furan-2-yl)ethylamino]-2-oxoethyl]-methylamino]acetic acid
CID 43442423
2-[2-[[2-(dimethylamino)-2-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid
CID 60662226
2-(4-bromophenoxy)-N-[(1S)-1-(furan-2-yl)ethyl]acetamide
CID 8856625
2-(2-chlorophenoxy)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 9011821
2-(ethylamino)-N-[(1R)-1-(furan-2-yl)ethyl]acetamide
CID 81400688
3-amino-N-[(1R)-1-(furan-2-yl)ethyl]butanamide
CID 81400293
N-[(1S)-1-(furan-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 9482011
N-[1-(furan-2-yl)ethyl]-2-naphthalen-1-yloxyacetamide
CID 60594643
N-[(1R)-1-(furan-2-yl)ethyl]-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656423

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid (CID 81408914) is 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid is C[C@@H](NC(=O)COCC(=O)O)c1ccco1.
What is the InChIKey of 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is RAXYCSCVUZJECR-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13NO5/c1-7(8-3-2-4-16-8)11-9(12)5-15-6-10(13)14/h2-4,7H,5-6H2,1H3,(H,11,12)(H,13,14)/t7-/m1/s1.
What are the key properties of 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 227.22 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 81408914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).