(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid

C12H16N2O6 — CID 91055712

IUPAC(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)c1ccco1
InChIInChI=1S/C12H16N2O6/c1-7(11(16)17)14(10-3-2-6-20-10)9(15)5-4-8(13)12(18)19/h2-3,6-8H,4-5,13H2,1H3,(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyILXGNOXQGMHYEO-YUMQZZPRSA-N
MW284.27 g/mol
LogP0.28
Rot. Bonds7

About (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid

(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid (PubChem CID 91055712) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid
PubChem CID91055712
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid
SMILESC[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)c1ccco1
InChIInChI=1S/C12H16N2O6/c1-7(11(16)17)14(10-3-2-6-20-10)9(15)5-4-8(13)12(18)19/h2-3,6-8H,4-5,13H2,1H3,(H,16,17)(H,18,19)/t7-,8-/m0/s1
InChIKeyILXGNOXQGMHYEO-YUMQZZPRSA-N
XLogP0.28
TPSA134.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(2-furylamino)-3-hydroxy-propanoic acid
CID 504251
Furylalanin
CID 24820175
Furyl-acryloyl-glycyl-leucinamide
CID 69565047
Furyl aspartic acid
CID 123533628
Furyl-acryloyl-alanyl-lysine
CID 129670956
(3S)-3-amino-4-[carboxymethyl(furan-2-yl)amino]-4-oxobutanoic acid
CID 18609755
2-[Furan-2-yl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 20186822
6-Amino-2-[2-[furan-2-yl(prop-2-enoyl)amino]propanoylamino]hexanoic acid
CID 20839177
5-(Diaminomethylideneamino)-2-[2-[furan-2-yl(prop-2-enoyl)amino]propanoylamino]pentanoic acid
CID 20839776
2-(Furan-2-ylamino)propanoic acid
CID 21613680
2-[[2-[Furan-2-yl(prop-2-enoyl)amino]acetyl]amino]-4-methylpentanamide
CID 22713090
(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate
CID 54144656

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid?
The IUPAC name of (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid (CID 91055712) is (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid.
What is the SMILES notation for (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid?
The canonical SMILES for (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid is C[C@@H](C(=O)O)N(C(=O)CC[C@H](N)C(=O)O)c1ccco1.
What is the InChIKey of (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid?
The InChIKey is ILXGNOXQGMHYEO-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-7(11(16)17)14(10-3-2-6-20-10)9(15)5-4-8(13)12(18)19/h2-3,6-8H,4-5,13H2,1H3,(H,16,17)(H,18,19)/t7-,8-/m0/s1.
What are the key properties of (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid?
(2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid has a molecular weight of 284.27 g/mol, XLogP of 0.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-5-[[(1S)-1-carboxyethyl]-(furan-2-yl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 91055712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).