(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid

C11H14N6O4 — CID 106404601

IUPAC(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESO=C(NCCc1ncon1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H14N6O4/c18-10(19)8(3-7-4-12-5-14-7)16-11(20)13-2-1-9-15-6-21-17-9/h4-6,8H,1-3H2,(H,12,14)(H,18,19)(H2,13,16,20)/t8-/m1/s1
InChIKeyYSQBMDJAJOMLTA-MRVPVSSYSA-N
MW294.27 g/mol
LogP-0.67
Rot. Bonds7

About (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid

(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid (PubChem CID 106404601) has the molecular formula C11H14N6O4 and a molecular weight of 294.27 g/mol. Its IUPAC name is (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid
PubChem CID106404601
Molecular FormulaC11H14N6O4
Molecular Weight294.27 g/mol
Exact Mass294.11
IUPAC Name(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid
SMILESO=C(NCCc1ncon1)N[C@H](Cc1cnc[nH]1)C(=O)O
InChIInChI=1S/C11H14N6O4/c18-10(19)8(3-7-4-12-5-14-7)16-11(20)13-2-1-9-15-6-21-17-9/h4-6,8H,1-3H2,(H,12,14)(H,18,19)(H2,13,16,20)/t8-/m1/s1
InChIKeyYSQBMDJAJOMLTA-MRVPVSSYSA-N
XLogP-0.67
TPSA146.03 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1H-imidazol-5-yl)-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 65231297
3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106403775
(2S)-3-(1H-imidazol-5-yl)-2-(2-methylsulfanylethylcarbamoylamino)propanoic acid
CID 63959935
(2S)-2-[2-(carbamoylamino)ethylcarbamoylamino]-3-(1H-imidazol-5-yl)propanoic acid
CID 83113392
(2S)-3-(1H-imidazol-5-yl)-2-(3-methylsulfanylpropylcarbamoylamino)propanoic acid
CID 63958986
(2S)-2-(ethylcarbamoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 61188865
3-(1H-imidazol-5-yl)-2-(3-oxobutylcarbamoylamino)propanoic acid
CID 118534669
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
(2R)-3-(1H-imidazol-5-yl)-2-(pent-4-ynylcarbamoylamino)propanoic acid
CID 114160258
(2R)-3-(1H-imidazol-5-yl)-2-[2-(methanesulfonamido)ethylcarbamoylamino]propanoic acid
CID 104895018
3-(1H-imidazol-5-yl)-2-[2-(trifluoromethylsulfanyl)ethylcarbamoylamino]propanoic acid
CID 106431450
(2S,3R)-3-hydroxy-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 114184521

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid (CID 106404601) is (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid is O=C(NCCc1ncon1)N[C@H](Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid?
The InChIKey is YSQBMDJAJOMLTA-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14N6O4/c18-10(19)8(3-7-4-12-5-14-7)16-11(20)13-2-1-9-15-6-21-17-9/h4-6,8H,1-3H2,(H,12,14)(H,18,19)(H2,13,16,20)/t8-/m1/s1.
What are the key properties of (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid?
(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid has a molecular weight of 294.27 g/mol, XLogP of -0.67, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid is sourced from PubChem (CID 106404601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).