(2S)-2-aminopentanedioic acid;furan-2-ol

C9H13NO6 — CID 90119871

IUPAC(2S)-2-aminopentanedioic acid;furan-2-ol
SMILESN[C@@H](CCC(=O)O)C(=O)O.Oc1ccco1
InChIInChI=1S/C5H9NO4.C4H4O2/c6-3(5(9)10)1-2-4(7)8;5-4-2-1-3-6-4/h3H,1-2,6H2,(H,7,8)(H,9,10);1-3,5H/t3-;/m0./s1
InChIKeyFPXHFMPDNYUJET-DFWYDOINSA-N
MW231.20 g/mol
LogP0.25
Rot. Bonds4

About (2S)-2-aminopentanedioic acid;furan-2-ol

(2S)-2-aminopentanedioic acid;furan-2-ol (PubChem CID 90119871) has the molecular formula C9H13NO6 and a molecular weight of 231.20 g/mol. Its IUPAC name is (2S)-2-aminopentanedioic acid;furan-2-ol.

Molecular Properties

Compound Name(2S)-2-aminopentanedioic acid;furan-2-ol
PubChem CID90119871
Molecular FormulaC9H13NO6
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name(2S)-2-aminopentanedioic acid;furan-2-ol
SMILESN[C@@H](CCC(=O)O)C(=O)O.Oc1ccco1
InChIInChI=1S/C5H9NO4.C4H4O2/c6-3(5(9)10)1-2-4(7)8;5-4-2-1-3-6-4/h3H,1-2,6H2,(H,7,8)(H,9,10);1-3,5H/t3-;/m0./s1
InChIKeyFPXHFMPDNYUJET-DFWYDOINSA-N
XLogP0.25
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 50.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-3-sulfanylpropanoic acid;furan-2-ol
CID 90119424
(2S)-2,6-diaminohexanoic acid;furan-2-ol
CID 90119881
(2S)-2-aminopentanedioic acid;benzene
CID 161035359
(2R)-2-amino(1,2,3,4,5-13C5)pentanedioic acid
CID 121494059
2-aminopentanedioic acid
CID 611
(2S)-2-aminopentanedioic acid;toluene
CID 67117620
(2S)-2-aminopentanedioic acid;hydrobromide
CID 87753976
(2R)-2-aminopentanedioic acid;hydrate
CID 87451212
(2S)-2-aminopentanedioic acid;chromium
CID 87792997
2-aminopentanedioic acid;bis(butanedioic acid)
CID 174955338
(2S)-2-aminopentanedioic acid;heptahydrate
CID 156766287
2-aminopentanedioic acid;hexahydrate
CID 173177476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminopentanedioic acid;furan-2-ol?
The IUPAC name of (2S)-2-aminopentanedioic acid;furan-2-ol (CID 90119871) is (2S)-2-aminopentanedioic acid;furan-2-ol.
What is the SMILES notation for (2S)-2-aminopentanedioic acid;furan-2-ol?
The canonical SMILES for (2S)-2-aminopentanedioic acid;furan-2-ol is N[C@@H](CCC(=O)O)C(=O)O.Oc1ccco1.
What is the InChIKey of (2S)-2-aminopentanedioic acid;furan-2-ol?
The InChIKey is FPXHFMPDNYUJET-DFWYDOINSA-N. The full InChI is InChI=1S/C5H9NO4.C4H4O2/c6-3(5(9)10)1-2-4(7)8;5-4-2-1-3-6-4/h3H,1-2,6H2,(H,7,8)(H,9,10);1-3,5H/t3-;/m0./s1.
What are the key properties of (2S)-2-aminopentanedioic acid;furan-2-ol?
(2S)-2-aminopentanedioic acid;furan-2-ol has a molecular weight of 231.20 g/mol, XLogP of 0.25, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminopentanedioic acid;furan-2-ol is sourced from PubChem (CID 90119871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).