(2S)-2-(furan-2-ylamino)butanedioic acid

C8H9NO5 — CID 123533628

IUPAC(2S)-2-(furan-2-ylamino)butanedioic acid
SMILESO=C(O)C[C@H](Nc1ccco1)C(=O)O
InChIInChI=1S/C8H9NO5/c10-7(11)4-5(8(12)13)9-6-2-1-3-14-6/h1-3,5,9H,4H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyVOKUVBDZGCQVPN-YFKPBYRVSA-N
MW199.16 g/mol
LogP0.62
Rot. Bonds5

About (2S)-2-(furan-2-ylamino)butanedioic acid

(2S)-2-(furan-2-ylamino)butanedioic acid (PubChem CID 123533628) has the molecular formula C8H9NO5 and a molecular weight of 199.16 g/mol. Its IUPAC name is (2S)-2-(furan-2-ylamino)butanedioic acid.

Molecular Properties

Compound Name(2S)-2-(furan-2-ylamino)butanedioic acid
PubChem CID123533628
Molecular FormulaC8H9NO5
Molecular Weight199.16 g/mol
Exact Mass199.05
IUPAC Name(2S)-2-(furan-2-ylamino)butanedioic acid
SMILESO=C(O)C[C@H](Nc1ccco1)C(=O)O
InChIInChI=1S/C8H9NO5/c10-7(11)4-5(8(12)13)9-6-2-1-3-14-6/h1-3,5,9H,4H2,(H,10,11)(H,12,13)/t5-/m0/s1
InChIKeyVOKUVBDZGCQVPN-YFKPBYRVSA-N
XLogP0.62
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.16
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(Furan-2-ylamino) ethanol
CID 76312178
(2S)-2-(2-furylamino)-3-hydroxy-propanoic acid
CID 504251
Phosphofurylalanine
CID 53818008
2-Furylglycine
CID 20498189
Furylalanin
CID 24820175
2-Furylglycine methyl ester
CID 129709804
1-(Furan-2-ylamino)ethyl acetate
CID 76315726
gamma-Glutamyl-2-furyl-alanine
CID 91055712
Furyl-acryloyl-alanyl-lysine
CID 129670956
(3S)-3-amino-4-[carboxymethyl(furan-2-yl)amino]-4-oxobutanoic acid
CID 18609755
(3S)-3-amino-4-[[2-(dicyclopropylmethylamino)-2-oxoethyl]-(furan-2-yl)amino]-4-oxobutanoic acid
CID 18609758
2-[Furan-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 20186822

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(furan-2-ylamino)butanedioic acid?
The IUPAC name of (2S)-2-(furan-2-ylamino)butanedioic acid (CID 123533628) is (2S)-2-(furan-2-ylamino)butanedioic acid.
What is the SMILES notation for (2S)-2-(furan-2-ylamino)butanedioic acid?
The canonical SMILES for (2S)-2-(furan-2-ylamino)butanedioic acid is O=C(O)C[C@H](Nc1ccco1)C(=O)O.
What is the InChIKey of (2S)-2-(furan-2-ylamino)butanedioic acid?
The InChIKey is VOKUVBDZGCQVPN-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9NO5/c10-7(11)4-5(8(12)13)9-6-2-1-3-14-6/h1-3,5,9H,4H2,(H,10,11)(H,12,13)/t5-/m0/s1.
What are the key properties of (2S)-2-(furan-2-ylamino)butanedioic acid?
(2S)-2-(furan-2-ylamino)butanedioic acid has a molecular weight of 199.16 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-ylamino)butanedioic acid is sourced from PubChem (CID 123533628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).