(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid

C9H11NO5 — CID 10824535

IUPAC(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid
SMILESN[C@@H](C(=O)O)[C@@H](CC(=O)O)c1ccoc1
InChIInChI=1S/C9H11NO5/c10-8(9(13)14)6(3-7(11)12)5-1-2-15-4-5/h1-2,4,6,8H,3,10H2,(H,11,12)(H,13,14)/t6-,8+/m0/s1
InChIKeyDJDCSYOALUXTEH-POYBYMJQSA-N
MW213.19 g/mol
LogP0.25
Rot. Bonds5

About (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid

(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid (PubChem CID 10824535) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid.

Molecular Properties

Compound Name(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid
PubChem CID10824535
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid
SMILESN[C@@H](C(=O)O)[C@@H](CC(=O)O)c1ccoc1
InChIInChI=1S/C9H11NO5/c10-8(9(13)14)6(3-7(11)12)5-1-2-15-4-5/h1-2,4,6,8H,3,10H2,(H,11,12)(H,13,14)/t6-,8+/m0/s1
InChIKeyDJDCSYOALUXTEH-POYBYMJQSA-N
XLogP0.25
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid?
The IUPAC name of (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid (CID 10824535) is (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid.
What is the SMILES notation for (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid?
The canonical SMILES for (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid is N[C@@H](C(=O)O)[C@@H](CC(=O)O)c1ccoc1.
What is the InChIKey of (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid?
The InChIKey is DJDCSYOALUXTEH-POYBYMJQSA-N. The full InChI is InChI=1S/C9H11NO5/c10-8(9(13)14)6(3-7(11)12)5-1-2-15-4-5/h1-2,4,6,8H,3,10H2,(H,11,12)(H,13,14)/t6-,8+/m0/s1.
What are the key properties of (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid?
(2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid has a molecular weight of 213.19 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-amino-3-(furan-3-yl)pentanedioic acid is sourced from PubChem (CID 10824535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).