(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid

C10H15N5O5 — CID 106404544

IUPAC(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H15N5O5/c11-7(16)2-1-6(9(17)18)14-10(19)12-4-3-8-13-5-20-15-8/h5-6H,1-4H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t6-/m1/s1
InChIKeyHUAMHTIWLRDQIU-ZCFIWIBFSA-N
MW285.26 g/mol
LogP-1.37
Rot. Bonds8

About (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid

(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 106404544) has the molecular formula C10H15N5O5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
PubChem CID106404544
Molecular FormulaC10H15N5O5
Molecular Weight285.26 g/mol
Exact Mass285.11
IUPAC Name(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCCc1ncon1)C(=O)O
InChIInChI=1S/C10H15N5O5/c11-7(16)2-1-6(9(17)18)14-10(19)12-4-3-8-13-5-20-15-8/h5-6H,1-4H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t6-/m1/s1
InChIKeyHUAMHTIWLRDQIU-ZCFIWIBFSA-N
XLogP-1.37
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403428
(2R)-4-methylsulfanyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404594
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
(2S)-5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 80683623
(2R)-3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]propanoic acid
CID 106404601
(2S,3R)-3-hydroxy-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 114184521
5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61204807
(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403079
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
2-[[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]methyl]butanoic acid
CID 106404733
(2S)-5-amino-2-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 65231156
(2S)-5-amino-2-(3-aminopropylcarbamoylamino)-5-oxopentanoic acid
CID 62273655

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (CID 106404544) is (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)NCCc1ncon1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is HUAMHTIWLRDQIU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H15N5O5/c11-7(16)2-1-6(9(17)18)14-10(19)12-4-3-8-13-5-20-15-8/h5-6H,1-4H2,(H2,11,16)(H,17,18)(H2,12,14,19)/t6-/m1/s1.
What are the key properties of (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 285.26 g/mol, XLogP of -1.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106404544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).