(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid

C9H13N5O5 — CID 106403428

IUPAC(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C9H13N5O5/c10-6(15)2-1-5(8(16)17)13-9(18)11-3-7-12-4-19-14-7/h4-5H,1-3H2,(H2,10,15)(H,16,17)(H2,11,13,18)/t5-/m1/s1
InChIKeyWDGUVJUWZRLJFI-RXMQYKEDSA-N
MW271.23 g/mol
LogP-1.41
Rot. Bonds7

About (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid

(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (PubChem CID 106403428) has the molecular formula C9H13N5O5 and a molecular weight of 271.23 g/mol. Its IUPAC name is (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
PubChem CID106403428
Molecular FormulaC9H13N5O5
Molecular Weight271.23 g/mol
Exact Mass271.09
IUPAC Name(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
SMILESNC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O
InChIInChI=1S/C9H13N5O5/c10-6(15)2-1-5(8(16)17)13-9(18)11-3-7-12-4-19-14-7/h4-5H,1-3H2,(H2,10,15)(H,16,17)(H2,11,13,18)/t5-/m1/s1
InChIKeyWDGUVJUWZRLJFI-RXMQYKEDSA-N
XLogP-1.41
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
(2R)-5-methoxy-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid
CID 106403079
4-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)pentanoic acid
CID 106403252
(2R)-5-amino-5-oxo-2-(1,3-thiazol-4-ylmethylcarbamoylamino)pentanoic acid
CID 98583925
(2S)-5-amino-2-(benzylcarbamoylamino)-5-oxopentanoic acid
CID 61181145
(2R)-4-methylsulfanyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106404594
(2S)-5-amino-2-[[3-[(1S)-1,4-diamino-4-oxobutyl]-1,2,4-oxadiazol-5-yl]methylcarbamoylamino]-5-oxopentanoic acid
CID 139322057
(2S)-5-amino-2-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-5-oxopentanoic acid
CID 63309082
(2S)-5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 80683623
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106420382
(2R)-5-amino-2-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-5-oxopentanoic acid
CID 106037774
1-benzyl-3-(1,2,4-oxadiazol-3-ylmethyl)urea
CID 103670811

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid (CID 106403428) is (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is NC(=O)CC[C@@H](NC(=O)NCc1ncon1)C(=O)O.
What is the InChIKey of (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
The InChIKey is WDGUVJUWZRLJFI-RXMQYKEDSA-N. The full InChI is InChI=1S/C9H13N5O5/c10-6(15)2-1-5(8(16)17)13-9(18)11-3-7-12-4-19-14-7/h4-5H,1-3H2,(H2,10,15)(H,16,17)(H2,11,13,18)/t5-/m1/s1.
What are the key properties of (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid?
(2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid has a molecular weight of 271.23 g/mol, XLogP of -1.41, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-amino-2-(1,2,4-oxadiazol-3-ylmethylcarbamoylamino)-5-oxopentanoic acid is sourced from PubChem (CID 106403428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).