(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid

C11H18N4O4 — CID 114184488

IUPAC(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCCc1ncno1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-2-3-4-8(10(16)17)15-11(18)12-6-5-9-13-7-14-19-9/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,15,18)/t8-/m0/s1
InChIKeyAFPUAQXXLJWTGM-QMMMGPOBSA-N
MW270.29 g/mol
LogP0.55
Rot. Bonds8

About (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid

(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid (PubChem CID 114184488) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid.

Molecular Properties

Compound Name(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
PubChem CID114184488
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid
SMILESCCCC[C@H](NC(=O)NCCc1ncno1)C(=O)O
InChIInChI=1S/C11H18N4O4/c1-2-3-4-8(10(16)17)15-11(18)12-6-5-9-13-7-14-19-9/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,15,18)/t8-/m0/s1
InChIKeyAFPUAQXXLJWTGM-QMMMGPOBSA-N
XLogP0.55
TPSA117.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 106403863
methyl 2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]hexanoate
CID 106401863
(2S)-2-(butylcarbamoylamino)hexanoic acid
CID 107144861
3-(1H-imidazol-5-yl)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106403775
(2S)-2-(ethylcarbamoylamino)hexanoic acid
CID 93057097
(2S)-2-(1,2-oxazol-5-ylmethylcarbamoylamino)hexanoic acid
CID 106421211
(2S)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoylamino]hexanoic acid
CID 106038811
(2S)-2-[2-(cyclopenten-1-yl)ethylcarbamoylamino]hexanoic acid
CID 114154430
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
(2S)-2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]hexanoic acid
CID 107856061
(2S)-2-[(3-amino-3-oxopropyl)carbamoylamino]hexanoic acid
CID 107145514
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The IUPAC name of (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid (CID 114184488) is (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid.
What is the SMILES notation for (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The canonical SMILES for (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid is CCCC[C@H](NC(=O)NCCc1ncno1)C(=O)O.
What is the InChIKey of (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid?
The InChIKey is AFPUAQXXLJWTGM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-2-3-4-8(10(16)17)15-11(18)12-6-5-9-13-7-14-19-9/h7-8H,2-6H2,1H3,(H,16,17)(H2,12,15,18)/t8-/m0/s1.
What are the key properties of (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid?
(2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid has a molecular weight of 270.29 g/mol, XLogP of 0.55, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]hexanoic acid is sourced from PubChem (CID 114184488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).