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

C11H17N5O5 — CID 106420382

IUPAC(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESCc1nc(CCNC(=O)N[C@H](CCC(N)=O)C(=O)O)no1
InChIInChI=1S/C11H17N5O5/c1-6-14-9(16-21-6)4-5-13-11(20)15-7(10(18)19)2-3-8(12)17/h7H,2-5H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20)/t7-/m1/s1
InChIKeyOMJIJTQEZLPVJA-SSDOTTSWSA-N
MW299.29 g/mol
LogP-1.06
Rot. Bonds8

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

(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (PubChem CID 106420382) has the molecular formula C11H17N5O5 and a molecular weight of 299.29 g/mol. Its IUPAC name is (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
PubChem CID106420382
Molecular FormulaC11H17N5O5
Molecular Weight299.29 g/mol
Exact Mass299.12
IUPAC Name(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
SMILESCc1nc(CCNC(=O)N[C@H](CCC(N)=O)C(=O)O)no1
InChIInChI=1S/C11H17N5O5/c1-6-14-9(16-21-6)4-5-13-11(20)15-7(10(18)19)2-3-8(12)17/h7H,2-5H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20)/t7-/m1/s1
InChIKeyOMJIJTQEZLPVJA-SSDOTTSWSA-N
XLogP-1.06
TPSA160.44 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]pentanedioic acid
CID 106402767
(2R)-5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 106404544
(2S)-5-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 80683623
2-methyl-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]pentanoic acid
CID 106420290
(2S)-4-hydroxy-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylcarbamoylamino]butanoic acid
CID 114184301
(2R)-5-amino-2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid
CID 107831193
(2S)-4-amino-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106420662
5-amino-5-oxo-2-(2-pyridin-4-ylethylcarbamoylamino)pentanoic acid
CID 61204807
5-amino-2-(butylcarbamoylamino)-5-oxopentanoic acid
CID 43210525
5-amino-5-oxo-2-[[3-oxo-3-(propan-2-ylamino)propyl]carbamoylamino]pentanoic acid
CID 103995632
5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 103995818
(2R)-5-amino-2-(3,3-dimethylbutylcarbamoylamino)-5-oxopentanoic acid
CID 114006135

Frequently Asked Questions

What is the IUPAC name of (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The IUPAC name of (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid (CID 106420382) is (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid.
What is the SMILES notation for (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The canonical SMILES for (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is Cc1nc(CCNC(=O)N[C@H](CCC(N)=O)C(=O)O)no1.
What is the InChIKey of (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
The InChIKey is OMJIJTQEZLPVJA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H17N5O5/c1-6-14-9(16-21-6)4-5-13-11(20)15-7(10(18)19)2-3-8(12)17/h7H,2-5H2,1H3,(H2,12,17)(H,18,19)(H2,13,15,20)/t7-/m1/s1.
What are the key properties of (2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid?
(2R)-5-amino-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid has a molecular weight of 299.29 g/mol, XLogP of -1.06, 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 106420382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).